SCHEMBL5312799

SCHEMBL5312799

CNC(=O)N1CCN(Cc2ccc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
FAAH O00519 4/20 0.41
DYRK2 Q92630 7/20 0.38
PRKAA2 P54646 3/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK6 Q00534 3/20 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
SCHEMBL5312932 0.93 KDR (0.42) KDRFAAHDYRK2PRKAA2CDK4
SCHEMBL5310039 0.91 FAAH (0.39) FAAHDYRK2PRKAA2CDK4CDK6
SCHEMBL5314116 0.89 DYRK2 (0.39) DYRK2CDK4CCND1CDK6
SCHEMBL14531377 0.89 DYRK2 (0.40) DYRK2CDK4CCND1CDK6
SCHEMBL5316079 0.89 CDK4 (0.40) DYRK2CDK4CCND1
SCHEMBL5315529 0.88 DYRK2 (0.40) KDRDYRK2CDK4CCND1CDK6
SCHEMBL5313455 0.87 DYRK2 (0.47) DYRK2CDK4CCND1CDK6
SCHEMBL14531378 0.84 MELK (0.39) DYRK2CDK4CCND1
SCHEMBL5312795 0.84 KDR (0.42) KDRFAAHDYRK2PRKAA2CDK4
SCHEMBL5335400 0.83 KDR (0.53) 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 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