SCHEMBL5313455

SCHEMBL5313455

CN(c1ccc2nc(Nc3ccc(CN4CCNCC4)cn3)sc2n1)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 11/20 0.47
CDK6 Q00534 8/20 0.41
CCND1 P24385 4/20 0.41
CDK4 P11802 3/20 0.40
CCNA2 P20248 2/20 0.40
CCND3 P30281 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.39
LYN P07948 1/20 0.38
SRC P12931 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
SCHEMBL14531377 0.91 DYRK2 (0.40) DYRK2CDK6CCND1CDK4CCNA2
SCHEMBL5315529 0.89 DYRK2 (0.40) DYRK2CDK6CCND1CDK4CCNA2
SCHEMBL5314116 0.89 DYRK2 (0.39) DYRK2CDK6CCND1CDK4CCNA2
SCHEMBL5312932 0.88 KDR (0.42) DYRK2CDK6CCND1CDK4
SCHEMBL5316079 0.87 CDK4 (0.40) DYRK2CCND1CDK4
SCHEMBL5312799 0.87 KDR (0.41) DYRK2CDK6CCND1CDK4
SCHEMBL5310039 0.87 FAAH (0.39) DYRK2CDK6CDK4CDK2
SCHEMBL14531378 0.86 MELK (0.39) DYRK2CCND1CDK4
SCHEMBL5311790 0.81 IDO1 (0.40) DYRK2CCND1CDK4
SCHEMBL14531379 0.80 KDR (0.39)

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