SCHEMBL31073045

SCHEMBL31073045

Cc1nc2c(F)cc(-c3nc(Nc4ccc(CC5CCNCC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.69
CDK6 Q00534 15/20 0.69
CDK1 P06493 14/20 0.69
CDK2 P24941 12/20 0.69
CCNB1 P14635 8/20 0.69
CCNE1 P24864 8/20 0.69
CDK9 P50750 7/20 0.69
CDK7 P50613 6/20 0.69
CCND3 P30281 5/20 0.69
CDK5 Q00535 4/20 0.69
CCNA2 P20248 3/20 0.69
CCNT1 O60563 2/20 0.69
CIT O14578 1/20 0.69
GAK O14976 1/20 0.69
DYRK3 O43781 1/20 0.69
STK16 O75716 1/20 0.69
CCNK O75909 1/20 0.69
STK10 O94804 1/20 0.69
PRKD3 O94806 1/20 0.69
ABCB11 O95342 1/20 0.69

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
SCHEMBL17489267 1.00 CDK4 (0.69) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL17489276 0.91 CDK4 (0.72) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL24021361 0.91 CDK4 (0.72) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL28266714 0.90 CDK4 (0.67) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL30672851 0.90 CDK4 (0.78) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL28266716 0.89 CDK4 (0.66) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22004020 0.89 CDK4 (0.68) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22004019 0.89 CDK4 (0.68) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22004900 0.89 CDK4 (0.82) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL24021351 0.89 CDK4 (0.70) CDK4CDK6CDK1CDK2CCNB1

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-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed