SCHEMBL29514974

SCHEMBL29514974

CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4sc5c(ncn5C(C)C)c4C)n3)nc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 14/20 0.78
CCND1 P24385 12/20 0.78
CDK4 P11802 9/20 0.70
CCND3 P30281 5/20 0.59
CCNA2 P20248 4/20 0.59
CDK2 P24941 4/20 0.59
DYRK2 Q92630 3/20 0.59
CCNT1 O60563 2/20 0.59
CDK7 P50613 2/20 0.59
CDK9 P50750 2/20 0.59
CCNH P51946 2/20 0.59
CCNE2 O96020 2/20 0.59
CDK1 P06493 2/20 0.59
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
DYRK3 O43781 1/20 0.59
STK16 O75716 1/20 0.59
CCNK O75909 1/20 0.59
STK10 O94804 1/20 0.59
PRKD3 O94806 1/20 0.59

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
SCHEMBL24322258 1.00 CDK6 (0.78) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL25284830 0.88 CCND1 (1.00) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL29515035 0.88 CCND1 (1.00) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL29515131 0.86 CCND1 (0.62) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL24322232 0.86 CCND1 (0.62) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL24323534 0.82 CCND1 (1.00) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL29515057 0.82 CCND1 (1.00) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL25236228 0.81 CCND1 (0.97) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL25285207 0.81 CCND1 (1.00) CDK6CCND1CDK4CCND3CCNA2
SCHEMBL29515107 0.81 CCND1 (0.97) CDK6CCND1CDK4CCND3CCNA2

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