SCHEMBL29514902

SCHEMBL29514902

[2H]C([2H])([2H])N1CCC(c2ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)cn(C)c(=O)c5c4C)n3)nc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 16/20 0.80
CDK6 Q00534 15/20 0.80
CDK4 P11802 8/20 0.63
CDK2 P24941 3/20 0.46
CSF1R P07333 2/20 0.46
CCNA2 P20248 2/20 0.46
CCNK O75909 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CCND3 P30281 2/20 0.46
CCNE2 O96020 1/20 0.46

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
SCHEMBL29515094 0.96 CCND1 (0.78) CCND1CDK6CDK4CDK2CSF1R
SCHEMBL24322142 0.96 CCND1 (0.84) CCND1CDK6CDK4CDK2CSF1R
SCHEMBL29514940 0.96 CCND1 (0.84) CCND1CDK6CDK4CDK2CSF1R
SCHEMBL30541022 0.90 CCND1 (0.80) CCND1CDK6CDK4CDK2CCNA2
SCHEMBL25235177 0.90 CCND1 (0.80) CCND1CDK6CDK4CDK2CCNA2
SCHEMBL24322062 0.89 CDK6 (0.79) CCND1CDK6CDK4CDK2CCNA2
SCHEMBL24322177 0.89 CCND1 (1.00) CCND1CDK6CDK4CDK2CSF1R
SCHEMBL25282784 0.89 CCND1 (0.82) CCND1CDK6CDK4CDK2CCNA2
SCHEMBL25278621 0.88 CCND1 (0.76) CCND1CDK6CDK4
SCHEMBL24322946 0.87 CCND1 (0.78) CCND1CDK6CDK4CDK2CCNA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214213-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS Prelude Therapeutics, Incorporated (US) 2023-07-26 EP claimed
WO-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 WO claimed
EP-4214213-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS Prelude Therapeutics, Incorporated (US) 2023-07-26 EP disclosed
WO-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 WO disclosed