SCHEMBL5312754

SCHEMBL5312754

CNc1cc(-c2ccc(F)cc2)c2nc(Nc3ccc(CN4CCN(S(C)(=O)=O)CC4)cn3)sc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 6/20 0.49
CDK6 Q00534 4/20 0.49
LYN P07948 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 2/20 0.43
PIK3CA P42336 5/20 0.38
MTOR P42345 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
CCND3 P30281 2/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PRKAA2 P54646 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
SCHEMBL5311883 0.90 TNIK (0.45) DYRK2CDK6KDRCCND3CDK4
SCHEMBL5315552 0.87 BDKRB1 (0.40) DYRK2CDK6KDRCCND3CDK4
SCHEMBL5311867 0.80 MERTK (0.45) DYRK2CDK6CCND3CDK4CCNA2
SCHEMBL5333764 0.78 TNIK (0.41) KDR
SCHEMBL5313507 0.78 DYRK2 (0.45) DYRK2CDK6LYNSRCKDR
SCHEMBL5315261 0.78 BDKRB1 (0.37) DYRK2CDK6KDRCCND3CDK4
SCHEMBL5333804 0.77 DRD4 (0.40) KDR
SCHEMBL5310432 0.76 KDR (0.49) KDRCDK2
SCHEMBL5312320 0.76 KDR (0.49) DYRK2KDR
SCHEMBL5314922 0.73 PDE1B (0.35) DYRK2CDK6CCND3CDK4CCNA2

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