SCHEMBL5310432

SCHEMBL5310432

CNc1cc(-c2ccc(F)cc2)c2nc(Nc3cc(CN4CCOCC4)ccn3)sc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.49
LCK P06239 1/20 0.42
CHEK1 O14757 1/20 0.41
SIK2 Q9H0K1 1/20 0.40
SIK3 Q9Y2K2 1/20 0.40
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
GRM2 Q14416 1/20 0.39
MAPK13 O15264 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK10 P53779 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
EGFR P00533 1/20 0.36
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL5312577 0.92 KDR (0.49) KDRLCKCHEK1SIK2SIK3
SCHEMBL5333804 0.91 DRD4 (0.40) KDRMAPK13MAPK8MAPK12MAPK10
SCHEMBL5333764 0.91 TNIK (0.41) KDRGRM2
SCHEMBL5314023 0.90 KDR (0.47) KDRLCKCHEK1SIK2SIK3
SCHEMBL5312320 0.90 KDR (0.49) KDRCHEK1GRM2
SCHEMBL5315552 0.88 BDKRB1 (0.40) KDRGRM2HTR2CMCHR1
SCHEMBL5333643 0.85 KDR (0.46) KDRLCKCHEK1SIK2SIK3
SCHEMBL5329735 0.82 TNIK (0.41) KDRLCK
SCHEMBL5334782 0.81 MERTK (0.43) KDR
SCHEMBL5311883 0.79 TNIK (0.45) KDRCDK1CDK2GRM2

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
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed