SCHEMBL3434473

SCHEMBL3434473

CC(=O)N(c1ccc(N2CCCC2=O)cc1)c1n[nH]c2c1CN(NC(=O)Nc1ccccc1Cl)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.38
TNIK Q9UKE5 1/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CCNA1 P78396 4/20 0.38
GFER P55789 1/20 0.35
F10 P00742 1/20 0.35
MET P08581 1/20 0.35
ROS1 P08922 1/20 0.35
ALK Q9UM73 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
NMT1 P30419 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
SCHEMBL7172622 0.90 F10 (0.41) RAB9ANPC1MAPTCCNA2CDK2
SCHEMBL3432471 0.82 CCNA2 (0.51) RAB9AMAPTCCNA2CDK2CCNA1
SCHEMBL2925472 0.79 CDK2 (0.59) RAB9AMAPTCCNA2CDK2CCNA1
SCHEMBL7170691 0.71 MAPK1 (0.40) ALK
SCHEMBL2924190 0.70 CDK2 (0.58) MAPTCCNA2CDK2CCNA1F10
SCHEMBL2923237 0.70 CCNA2 (0.46) RAB9ANPC1MAPTCCNA2CDK2
SCHEMBL2925339 0.67 CYP1A2 (0.49) CCNA2CDK2CCNA1ALKCCNB2
SCHEMBL2920399 0.67 CDK2 (0.56) RAB9ANPC1MAPTCCNA2CDK2
SCHEMBL2957863 0.66 CDK2 (0.68) MAPTCCNA2CDK2CCNA1LMNA
SCHEMBL2922601 0.66 CCNA2 (0.48) RAB9ANPC1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed