SCHEMBL1767558

SCHEMBL1767558

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N(CC1CCCCO1)C(C)(C)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.41
RPTOR Q8N122 14/20 0.41
MLST8 Q9BVC4 14/20 0.41
PIK3CA P42336 5/20 0.41
CSF1R P07333 1/20 0.36
PRKDC P78527 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE1C Q14123 2/20 0.33
PDE6A P16499 1/20 0.33
PDE6B P35913 1/20 0.33
CYP1A2 P05177 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL137134 0.87 MTOR (0.52) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL29522489 0.87 MTOR (0.52) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL137140 0.82 MTOR (0.57) MTORRPTORMLST8PIK3CA
SCHEMBL29522064 0.82 MTOR (0.57) MTORRPTORMLST8PIK3CA
SCHEMBL29522292 0.76 MTOR (0.52) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL138713 0.76 MTOR (0.52) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL138814 0.76 MTOR (0.56) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL29522273 0.76 MTOR (0.56) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL29521572 0.76 MTOR (0.43) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL135891 0.76 MTOR (0.43) MTORRPTORMLST8PIK3CACSF1R

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909627-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY Signal Pharmaceuticals, LLC (US) 2015-08-26 EP disclosed
EP-2825170-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-01-21 EP disclosed
EP-2825168-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-01-21 EP disclosed
EP-2817029-A1 METHODS FOR TREATING NON- SMALL CELL LUNG CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY Signal Pharmaceuticals, LLC (US) 2014-12-31 EP disclosed
EP-2768500-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2014-08-27 EP disclosed
EP-2739751-A1 IDENTIFICATION OF GENE EXPRESSION PROFILE AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS Signal Pharmaceuticals, LLC (US) 2014-06-11 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-2013138557-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 WO disclosed
WO-2013138556-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 WO disclosed
WO-2013126636-A1 METHODS FOR TREATING NON- SMALL CELL LUNG CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 WO disclosed
WO-2013059396-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 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