SCHEMBL5315552

SCHEMBL5315552

CNc1cc(-c2ccc(F)cc2)c2nc(Nc3ccc(CN4CCOCC4)cn3)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.40
CCND1 P24385 4/20 0.39
CDK6 Q00534 4/20 0.39
MCHR1 Q99705 2/20 0.39
HTR2C P28335 1/20 0.39
CDK4 P11802 1/20 0.39
CCND3 P30281 1/20 0.39
KDR P35968 2/20 0.39
CNR2 P34972 1/20 0.39
GRM2 Q14416 1/20 0.39
BTK Q06187 1/20 0.39
DYRK2 Q92630 4/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38

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 0.91 TNIK (0.45) CDK6CDK4CCND3KDRGRM2
SCHEMBL5315261 0.90 BDKRB1 (0.37) BDKRB1CCND1CDK6CDK4CCND3
SCHEMBL5310432 0.88 KDR (0.49) MCHR1HTR2CKDRGRM2
SCHEMBL5312754 0.87 DYRK2 (0.49) CDK6CDK4CCND3KDRDYRK2
SCHEMBL5311867 0.81 MERTK (0.45) CDK6CDK4CCND3BTKDYRK2
SCHEMBL5313507 0.80 DYRK2 (0.45) CCND1CDK6CDK4CCND3KDR
SCHEMBL5312577 0.80 KDR (0.49) KDR
SCHEMBL5333804 0.79 DRD4 (0.40) KDRTBK1
SCHEMBL5333764 0.79 TNIK (0.41) KDRGRM2TBK1
SCHEMBL5314023 0.79 KDR (0.47) KDR

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 claimed