SCHEMBL24676738

SCHEMBL24676738

C[C@@]1(O)CC[C@H](c2nc(C(F)(F)F)c(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3F)s2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.49
CCNE1 P24864 19/20 0.49
CDK1 P06493 9/20 0.49
CCNB1 P14635 7/20 0.49
CCNE2 O96020 2/20 0.49
CCNB2 O95067 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
CCND1 P24385 14/20 0.47
CDK6 Q00534 13/20 0.47
CDK4 P11802 9/20 0.46
CCND3 P30281 7/20 0.46
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
RB1 P06400 1/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL24676035 0.94 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676972 0.94 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676661 0.89 CDK2 (0.57) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676021 0.87 CDK2 (0.55) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676514 0.86 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676433 0.86 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676544 0.86 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676835 0.86 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676549 0.86 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL29754835 0.86 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNE2

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