SCHEMBL24677048

SCHEMBL24677048

CC(C)(C)OC(=O)N1CC(c2nc(C(F)(F)F)c(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3F)s2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.48
CCNE1 P24864 14/20 0.48
CDK1 P06493 9/20 0.48
CCNB1 P14635 6/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
GPR119 Q8TDV5 2/20 0.45
CCND1 P24385 11/20 0.44
CDK4 P11802 8/20 0.44
CDK6 Q00534 8/20 0.44
CCND3 P30281 5/20 0.44
DYRK2 Q92630 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
SCHEMBL24676850 0.92 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676660 0.88 CDK2 (0.56) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676021 0.87 CDK2 (0.55) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676661 0.87 CDK2 (0.57) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676544 0.85 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676835 0.85 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676433 0.85 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676514 0.85 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676657 0.84 CDK2 (0.54) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676001 0.84 CDK2 (0.54) CDK2CCNE1CDK1CCNB1CCNB2

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