SCHEMBL29514867

SCHEMBL29514867

CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(c4C)c(=O)ncn5C(C)C)n3)nc1)C2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 18/20 0.67
CDK4 P11802 13/20 0.67
CDK6 Q00534 10/20 0.55
CCNA2 P20248 2/20 0.48
CCND3 P30281 2/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 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
SCHEMBL25278596 1.00 CCND1 (0.67) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL24322087 0.91 CCND1 (0.61) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL24322089 0.83 CCND1 (0.60) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL24322348 0.82 CCND1 (0.84) CCND1CDK4CDK6
SCHEMBL29514864 0.81 CCND1 (0.70) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL24323643 0.81 CCND1 (0.70) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL29514862 0.80 CCND1 (0.62) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL29514942 0.80 CCND1 (0.68) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL24323536 0.80 CCND1 (0.68) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL24323617 0.80 CCND1 (1.00) CCND1CDK4CDK6

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