SCHEMBL5315529

SCHEMBL5315529

CN(c1ccc2nc(Nc3ccc(CN4CCC(O)CC4)cn3)sc2n1)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 8/20 0.40
CDK4 P11802 5/20 0.36
CCND1 P24385 4/20 0.36
CDK6 Q00534 7/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
HTR2C P28335 1/20 0.35
MCHR1 Q99705 1/20 0.35
KDR P35968 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
SCHEMBL5316079 0.91 CDK4 (0.40) DYRK2CDK4CCND1
SCHEMBL14531377 0.90 DYRK2 (0.40) DYRK2CDK4CCND1CDK6CCNA2
SCHEMBL14531378 0.90 MELK (0.39) DYRK2CDK4CCND1
SCHEMBL5313455 0.89 DYRK2 (0.47) DYRK2CDK4CCND1CDK6CCNA2
SCHEMBL5310813 0.89 DYRK2 (0.39) DYRK2CDK4CCND1CDK6CCNT1
SCHEMBL5312799 0.88 KDR (0.41) DYRK2CDK4CCND1CDK6KDR
SCHEMBL5312932 0.88 KDR (0.42) DYRK2CDK4CCND1CDK6KDR
SCHEMBL5314116 0.87 DYRK2 (0.39) DYRK2CDK4CCND1CDK6CCNA2
SCHEMBL5310039 0.87 FAAH (0.39) DYRK2CDK4CDK6CDK2
SCHEMBL5311473 0.84 CDK1 (0.42) DYRK2CDK4CDK6

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