SCHEMBL29686754

SCHEMBL29686754

Fc1cnc(Nc2ccc(CN3CCN4CCC[C@@H]4C3)cn2)nc1-c1cc(F)c2nc3n(c2c1)[C@H](C(F)(F)F)CC3

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.65
CCND3 P30281 20/20 0.65
CDK6 Q00534 16/20 0.65
CDK1 P06493 14/20 0.65
CCNA2 P20248 4/20 0.64
CCNT1 O60563 1/20 0.62
CCNE1 P24864 1/20 0.62
CDK2 P24941 1/20 0.62
CDK7 P50613 1/20 0.62
CDK9 P50750 1/20 0.62
CCNH P51946 1/20 0.62

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
SCHEMBL18191696 1.00 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL21499013 1.00 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL20528183 0.91 CDK4 (0.79) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL18191681 0.91 CDK4 (0.79) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL18191753 0.90 CDK4 (0.70) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL29686798 0.90 CDK4 (0.70) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL20528275 0.89 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL21499040 0.89 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL29686496 0.89 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNA2
SCHEMBL21499213 0.88 CDK4 (0.82) CDK4CCND3CDK6CDK1CCNA2

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
EP-3288931-B2 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2022-07-20 EP claimed