SCHEMBL29515005

SCHEMBL29515005

Cc1c(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)sc2c1nc(C)n2C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 16/20 1.00
CDK4 P11802 13/20 1.00
CDK6 Q00534 11/20 0.75
CDK1 P06493 2/20 0.57
CCNA2 P20248 2/20 0.57
CCND3 P30281 2/20 0.57
CCNT1 O60563 1/20 0.57
CCNB1 P14635 1/20 0.57
CDK2 P24941 1/20 0.57
CDK7 P50613 1/20 0.57
CDK9 P50750 1/20 0.57
CCNH P51946 1/20 0.57

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
SCHEMBL24322347 0.91 CCND1 (0.84) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL29514918 0.91 CCND1 (0.84) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL29515081 0.88 CCND1 (0.79) CCND1CDK4CDK6
SCHEMBL25235418 0.88 CCND1 (0.79) CCND1CDK4CDK6
SCHEMBL29515132 0.88 CCND1 (0.79) CCND1CDK4CDK6
SCHEMBL25285212 0.88 CCND1 (0.79) CCND1CDK4CDK6
SCHEMBL25283162 0.88 CCND1 (0.78) CCND1CDK4CDK6CDK1CCNA2
SCHEMBL29514949 0.88 CCND1 (0.78) CCND1CDK4CDK6
SCHEMBL25284787 0.86 CCND1 (0.76) CCND1CDK4CDK6CCNA2CCND3
SCHEMBL29514856 0.86 CCND1 (0.76) CCND1CDK4CDK6CCNA2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583283-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-08-11 CN claimed
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
CN-116583283-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-08-11 CN disclosed
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