SCHEMBL3802995

SCHEMBL3802995

Cc1sc(OC(N)=O)cc1-c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)c2ncnn12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 11/20 0.48
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
TGFBR1 P36897 2/20 0.36
ACVR1 Q04771 2/20 0.36
FGFR3 P22607 1/20 0.35
ALK Q9UM73 1/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVR1B P36896 1/20 0.34
ACVRL1 P37023 1/20 0.34
TNIK Q9UKE5 1/20 0.34
BRD4 O60885 2/20 0.34
SYK P43405 1/20 0.34
F12 P00748 1/20 0.33

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
SCHEMBL3801580 0.91 MAPKAPK5 (0.39) MAPKAPK5CDK4CCND1
SCHEMBL2220062 0.89 MAPKAPK5 (0.49) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3795246 0.87 MAPKAPK5 (0.51) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3797919 0.84 MAPKAPK5 (0.51) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3794145 0.81 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1SYKF12
SCHEMBL3793107 0.81 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL3794137 0.81 MAPKAPK5 (0.43) MAPKAPK5CDK4CCND1ALK
SCHEMBL2220499 0.80 MAPKAPK5 (0.40) MAPKAPK5CDK4CCND1SYK
SCHEMBL2223283 0.79 MAPKAPK5 (0.53) MAPKAPK5CDK4CCND1TGFBR1ACVR1
SCHEMBL1476500 0.79 MAPKAPK5 (0.61) MAPKAPK5CDK4CCND1TGFBR1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed