SCHEMBL530385

SCHEMBL530385

CC(C)(O)c1ccc(-c2cnc3c(n2)NC(=O)CN3Cc2cccc(C#N)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.53
PIK3CA P42336 10/20 0.53
RPTOR Q8N122 8/20 0.50
MLST8 Q9BVC4 8/20 0.50
RICTOR Q6R327 2/20 0.50
MAPKAP1 Q9BPZ7 2/20 0.50
CSF1R P07333 1/20 0.50
SYK P43405 1/20 0.42
TNIK Q9UKE5 1/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29522121 0.79 MTOR (0.63) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138866 0.79 MTOR (0.63) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138861 0.79 MTOR (0.62) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522551 0.79 MTOR (0.62) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL137259 0.74 MTOR (0.76) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522486 0.74 MTOR (0.76) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138370 0.72 MTOR (0.77) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522252 0.72 MTOR (0.77) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522050 0.71 MTOR (0.74) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL137235 0.71 MTOR (0.74) MTORPIK3CARPTORMLST8RICTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313403-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS Celgene Corporation (US) 2018-05-02 EP claimed
WO-2016210046-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS CELGENE CORPORATION (US) 2016-12-29 WO claimed
EP-2598885-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY Signal Pharmaceuticals, LLC (US) 2013-06-05 EP claimed
EP-2493472-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2012-09-05 EP claimed
WO-2012016113-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-02 WO claimed
WO-2011053518-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2011-05-05 WO claimed
EP-3313403-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS Celgene Corporation (US) 2018-05-02 EP disclosed
EP-3131552-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY Signal Pharmaceuticals, LLC (US) 2017-02-22 EP disclosed
EP-3131550-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY Signal Pharmaceuticals, LLC (US) 2017-02-22 EP disclosed
WO-2016210046-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS CELGENE CORPORATION (US) 2016-12-29 WO disclosed
EP-3052093-A1 A TOR KINASE INHIBITOR IN THE PREVENTION OR TREATMENT OF CANCER CHARACTERIZED BY GENE MUTATIONS Signal Pharmaceuticals, LLC (US) 2016-08-10 EP disclosed
EP-2986298-A1 TREATMENT OF CANCER WITH DIHYDROPYRAZINO-PYRAZINES Signal Pharmaceuticals, LLC (US) 2016-02-24 EP disclosed
EP-2986299-A1 TREATMENT OF CANCER WITH DIHYDROPYRAZINO-PYRAZINES Signal Pharmaceuticals, LLC (US) 2016-02-24 EP disclosed
WO-2014066125-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2014-05-01 WO disclosed
WO-2014062878-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2014-04-24 WO disclosed
WO-2013019927-A1 IDENTIFICATION OF GENE EXPRESSION PROFILE AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-07 WO disclosed
EP-2531194-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2012-12-12 EP disclosed
EP-2493472-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2012-09-05 EP disclosed
WO-2011097333-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2011-08-11 WO disclosed
WO-2011053518-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2011-05-05 WO disclosed