SCHEMBL5314023

SCHEMBL5314023

CNc1cc(-c2ccc(F)cc2F)c2nc(Nc3cc(CN4CCOCC4)ccn3)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
LCK P06239 1/20 0.41
CHEK1 O14757 1/20 0.40
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
CDK9 P50750 2/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
SIK2 Q9H0K1 1/20 0.38
SIK3 Q9Y2K2 1/20 0.38
EGFR P00533 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
MET P08581 2/20 0.35
MERTK Q12866 2/20 0.35
AXL P30530 1/20 0.35

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
SCHEMBL5333643 0.92 KDR (0.46) KDRLCKCHEK1SIK2SIK3
SCHEMBL5334782 0.91 MERTK (0.43) KDRMETMERTKAXL
SCHEMBL5310432 0.90 KDR (0.49) KDRLCKCHEK1CDK1CDK2
SCHEMBL5315261 0.89 BDKRB1 (0.37) KDRCDK1CDK2CDK9CASP3
SCHEMBL5312577 0.84 KDR (0.49) KDRLCKCHEK1SIK2SIK3
SCHEMBL5313556 0.83 MERTK (0.38) KDRLCKMETMERTKAXL
SCHEMBL5315878 0.83 ABL1 (0.46) EGFR
SCHEMBL5333804 0.81 DRD4 (0.40) KDRMAPK14
SCHEMBL5333764 0.81 TNIK (0.41) KDRMERTK
SCHEMBL5312320 0.80 KDR (0.49) KDRCHEK1

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