SCHEMBL2321808

SCHEMBL2321808

COc1ccc(-c2nc(C(N)=O)c3c(n2)[nH]c(=O)n3Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 6/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CSNK2A1 P68400 4/20 0.49
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
MTOR P42345 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
JAK2 O60674 1/20 0.45
GLA P06280 2/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
MAT2A P31153 1/20 0.43

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
SCHEMBL291568 0.84 CSNK2A1 (0.64) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL298156 0.71 CSNK2A1 (0.85) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL19254252 0.71 LMNA (0.69) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL9358431 0.70 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL2321795 0.69 GSK3B (0.54) ALDH1A1KDM4EHTTGAANPSR1
SCHEMBL19254092 0.67 KDM4E (0.81) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL5000196 0.66 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL24733513 0.65 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL4996231 0.65 EGLN3 (0.57) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL19254349 0.65 CSNK2A1 (0.84) ALDH1A1HPGDKDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908814-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-08-26 EP disclosed
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
WO-2014062878-A9 TREATMENT OF PROSTATE CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2014-12-18 WO 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
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
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