SCHEMBL24676069

SCHEMBL24676069

CC1(O)CCN(Cc2nc(C(F)(F)F)c(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3F)s2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.47
CDK2 P24941 20/20 0.47
CDK1 P06493 8/20 0.47
CCNB1 P14635 7/20 0.47
CCNE2 O96020 2/20 0.47
CCNB2 O95067 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
CCND1 P24385 14/20 0.45
CDK6 Q00534 14/20 0.45
CDK4 P11802 8/20 0.45
CCND3 P30281 7/20 0.45
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
RB1 P06400 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL24675940 0.95 CCNE1 (0.49) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676667 0.91 CDK2 (0.49) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676674 0.89 CDK2 (0.50) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676584 0.88 CDK2 (0.53) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676575 0.88 CDK2 (0.53) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24675945 0.87 CDK2 (0.51) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676672 0.87 CDK2 (0.51) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676675 0.87 CDK2 (0.52) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676586 0.87 CDK2 (0.52) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL24676440 0.86 CDK2 (0.51) CCNE1CDK2CDK1CCNB1CCNE2

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