SCHEMBL24676812

SCHEMBL24676812

CSN1CCC(Nc2ncc(F)c(-c3sc(C4COC4)nc3C)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.44
CCNA2 P20248 15/20 0.44
CDK6 Q00534 12/20 0.44
CDK4 P11802 11/20 0.44
CCND1 P24385 11/20 0.44
CCND3 P30281 10/20 0.44
CDK1 P06493 10/20 0.44
CCNB1 P14635 10/20 0.44
CCNT1 O60563 12/20 0.41
CDK9 P50750 12/20 0.41
CDK7 P50613 11/20 0.41
CCNH P51946 11/20 0.41
CCNE1 P24864 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CCNA1 P78396 1/20 0.37

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
SCHEMBL24676957 0.88 CDK4 (0.38) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676788 0.85 CDK2 (0.56) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL26267740 0.85 CDK2 (0.46) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676732 0.81 CDK2 (0.42) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676946 0.81 CDK2 (0.43) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676848 0.80 CDK2 (0.39) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676023 0.79 CDK2 (0.40) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676017 0.79 CCND1 (0.39) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676540 0.78 CDK2 (0.43) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL24676969 0.78 CCND1 (0.41) CDK2CCNA2CDK6CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed