SCHEMBL29514841

SCHEMBL29514841

CCN1CCN(c2ccc(Nc3ncc(F)c(-c4cc5c(s4)c(C(C)C)cc[n+]5[O-])n3)nc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 15/20 0.61
CDK6 Q00534 11/20 0.61
CDK4 P11802 11/20 0.59
CCNA2 P20248 5/20 0.51
CDK2 P24941 5/20 0.51
CCND3 P30281 5/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
CDK1 P06493 4/20 0.49
CDK5 Q00535 1/20 0.49
CCNE2 O96020 3/20 0.49

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
SCHEMBL25234169 1.00 CCND1 (0.61) CCND1CDK6CDK4CCNA2CDK2
SCHEMBL24322070 0.90 CCND1 (0.60) CCND1CDK6CDK4CCNA2CDK2
SCHEMBL24322330 0.85 CCND1 (0.83) CCND1CDK6CDK4
SCHEMBL29515056 0.85 CCND1 (0.83) CCND1CDK6CDK4
SCHEMBL25695259 0.77 CCND1 (0.82) CCND1CDK6CDK4CCNA2CDK2
SCHEMBL30541501 0.77 CCND1 (0.74) CCND1CDK6CDK4
SCHEMBL24323642 0.76 CCND1 (0.63) CCND1CDK6CDK4CCNA2CDK2
SCHEMBL29514916 0.76 CCND1 (1.00) CCND1CDK6CDK4
SCHEMBL24322979 0.75 CCND1 (1.00) CCND1CDK6CDK4CCNA2CDK2
SCHEMBL24323475 0.75 CCND1 (1.00) CCND1CDK6CDK4CCNA2CDK2

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