SCHEMBL6192425

SCHEMBL6192425

Nc1cc(C2(Cl)CC2c2ccnc(NC3CCCC3)n2)cc2cc(-c3ccc(F)cc3)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPK8 P45983 3/20 0.34
MAPK9 P45984 3/20 0.34
MAPK10 P53779 2/20 0.34
EGFR P00533 1/20 0.34
CSNK1D P48730 1/20 0.34
IKBKB O14920 2/20 0.33
CHRNA7 P36544 1/20 0.33
ROCK2 O75116 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAPK1 P28482 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 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
SCHEMBL6195929 0.87 ADORA3 (0.35) CDK4MAPK14MAPK9MAPK10CHRNA7
SCHEMBL6569263 0.68 CDK4 (0.39) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL1034820 0.67 CDK4 (0.57) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL6191903 0.67 CSNK1D (0.47) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL6194667 0.63 CSNK1D (0.45) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL21621306 0.63 CDK4 (0.63) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL5452916 0.63 CSNK1D (0.51) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL6196226 0.62 CSNK1D (0.46) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL5726060 0.62 CSNK1D (0.51) CDK4MAPK13MAPK12MAPK11MAPK14
SCHEMBL5890649 0.62 CSNK1D (0.51) CDK4MAPK13MAPK12MAPK11MAPK14

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-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP claimed