SCHEMBL24676690

SCHEMBL24676690

COC1CCN(Cc2nc(C(F)(F)F)c(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3F)s2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.48
CCNE1 P24864 15/20 0.48
CDK1 P06493 13/20 0.48
CCNB1 P14635 9/20 0.48
CCNE2 O96020 3/20 0.48
CDK5 Q00535 3/20 0.48
CCNB2 O95067 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
CCND1 P24385 12/20 0.43
CDK4 P11802 11/20 0.43
CDK6 Q00534 9/20 0.43
CCND3 P30281 7/20 0.43
CCNA2 P20248 1/20 0.39
CASK O14936 1/20 0.39
ROCK2 O75116 1/20 0.39
CDKL5 O76039 1/20 0.39
STK10 O94804 1/20 0.39
CDK14 O94921 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL24676070 0.95 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676666 0.95 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676072 0.93 CDK2 (0.47) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676447 0.90 CDK2 (0.50) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676680 0.89 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676683 0.89 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676670 0.89 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676675 0.89 CDK2 (0.52) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676440 0.88 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL24676584 0.88 CDK2 (0.53) 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