SCHEMBL24322132

SCHEMBL24322132

Cc1ncc(F)c(-c2sc3c(nc(C)n3C3CCCC3)c2C)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.56
CCND1 P24385 15/20 0.56
CDK6 Q00534 8/20 0.56
CDK2 P24941 3/20 0.35
CCNE1 P24864 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL24322134 0.89 CCND1 (0.55) CDK4CCND1CDK6CDK2CCNE1
SCHEMBL29514987 0.89 CCND1 (0.55) CDK4CCND1CDK6CDK2CCNE1
SCHEMBL29515067 0.75 CDK4 (0.84) CDK4CCND1CDK6CDK2CDK1
SCHEMBL29515058 0.75 CCND1 (0.68) CDK4CCND1CDK6CDK2CCNE1
SCHEMBL25285170 0.75 CCND1 (0.68) CDK4CCND1CDK6CDK2CCNE1
SCHEMBL24322323 0.74 CCND1 (1.00) CDK4CCND1CDK6CDK2CDK1
SCHEMBL25243806 0.74 CCND1 (1.00) CDK4CCND1CDK6CDK2CDK1
SCHEMBL25285207 0.74 CCND1 (1.00) CDK4CCND1CDK6CDK2CCNE1
SCHEMBL25289547 0.74 CCND1 (0.79) CDK4CCND1CDK6CDK2CCNE1
SCHEMBL29515116 0.74 CCND1 (0.79) CDK4CCND1CDK6CDK2CCNE1

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-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 WO disclosed