SCHEMBL2336498

SCHEMBL2336498

COc1cccc2nc(C3CC4CCC3C4)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.36
PDGFRA P16234 5/20 0.36
PBK Q96KB5 8/20 0.36
ADORA1 P30542 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL5201225 0.78 PDE4A (0.41) ADORA1CDK9DYRK1A
SCHEMBL30622669 0.77 RAB9A (0.35) PDGFRBPDGFRA
SCHEMBL2335278 0.75 PBK (0.48) PBKADORA1SLC6A3
SCHEMBL2332188 0.74 PBK (0.52) PBKSLC6A3
SCHEMBL30622632 0.68 HSD17B10 (0.39)
SCHEMBL4611131 0.67 ALDH1A1 (0.46) CDK9DYRK1A
SCHEMBL4420447 0.67 NQO2 (0.46) CDK9DYRK1A
SCHEMBL24834182 0.66 DCPS (0.47) CDK9DYRK1A
SCHEMBL941422 0.66 KEAP1 (0.47) CDK9DYRK1A
SCHEMBL2549634 0.66 NQO2 (0.44) CDK9DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358365-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES Oncotherapy Science, Inc. (JP) 2011-08-24 EP disclosed
WO-2010058512-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-27 WO disclosed