SCHEMBL29514874

SCHEMBL29514874

Cc1nc2cc(-c3nc(Nc4ccc(N5CC(N(C)C)C5)cn4)ncc3F)sc2n1C(C)C

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 16/20 0.76
CDK6 Q00534 13/20 0.76
CDK4 P11802 10/20 0.61
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48
CDK9 P50750 1/20 0.48

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
SCHEMBL25234317 1.00 CCND1 (0.76) CCND1CDK6CDK4CCNT1CCNA2
SCHEMBL25282128 0.86 CCND1 (1.00) CCND1CDK6CDK4
SCHEMBL29514757 0.86 CCND1 (1.00) CCND1CDK6CDK4
SCHEMBL17489242 0.80 CDK6 (0.65) CCND1CDK6CDK4CCNT1CCNA2
SCHEMBL25237805 0.79 CCND1 (1.00) CCND1CDK6CDK4CCNT1CCNA2
SCHEMBL29514845 0.79 CCND1 (1.00) CCND1CDK6CDK4CCNT1CCNA2
SCHEMBL24322174 0.79 CCND1 (0.72) CCND1CDK6CDK4CCNA2CDK2
SCHEMBL25695256 0.79 CCND1 (0.80) CCND1CDK6CDK4CCNA2CDK2
SCHEMBL17488844 0.79 CDK6 (0.66) CCND1CDK6CDK4CCNT1CCNA2
SCHEMBL17488843 0.79 CDK6 (0.66) CCND1CDK6CDK4CCNT1CCNA2

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