SCHEMBL5310039

SCHEMBL5310039

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
DYRK2 Q92630 8/20 0.38
PRKAA2 P54646 4/20 0.36
CDK6 Q00534 4/20 0.36
RORC P51449 1/20 0.35
DHODH Q02127 1/20 0.35
CDK4 P11802 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 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
SCHEMBL5312932 0.93 KDR (0.42) FAAHDYRK2PRKAA2CDK6CDK4
SCHEMBL5312799 0.91 KDR (0.41) FAAHDYRK2PRKAA2CDK6CDK4
SCHEMBL14531377 0.89 DYRK2 (0.40) DYRK2CDK6CDK4CDK2
SCHEMBL5314116 0.88 DYRK2 (0.39) DYRK2CDK6CDK4CDK2
SCHEMBL5316079 0.87 CDK4 (0.40) DYRK2CDK4
SCHEMBL5315529 0.87 DYRK2 (0.40) DYRK2CDK6CDK4CDK2
SCHEMBL5313455 0.87 DYRK2 (0.47) DYRK2CDK6CDK4CDK2
SCHEMBL5339002 0.84 KDR (0.43)
SCHEMBL14531000 0.83 IDO1 (0.43) DYRK2CDK4
SCHEMBL5311458 0.83 IDO1 (0.43) DYRK2CDK4

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