SCHEMBL24676490

SCHEMBL24676490

C[S+]([O-])N1CCC(Nc2ncc(F)c(-c3sc(CO)nc3C(F)(F)F)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.37
CCNE1 P24864 9/20 0.37
CDK1 P06493 9/20 0.37
CCNB1 P14635 9/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CDK4 P11802 14/20 0.36
CCND1 P24385 14/20 0.36
CCND3 P30281 14/20 0.36
CDK6 Q00534 14/20 0.36
CDK9 P50750 8/20 0.34
CDK7 P50613 7/20 0.34
CCNK O75909 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK13 Q14004 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CCNA2 P20248 8/20 0.33

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
SCHEMBL24676764 0.90 CDK2 (0.36) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676979 0.84 CDK2 (0.36) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676489 0.84 CDK2 (0.55) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676529 0.84 CDK2 (0.36) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676036 0.84 CDK2 (0.35) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676696 0.83 CDK2 (0.39) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676598 0.82 DYRK2 (0.44) CDK2CDK1CDK4CCND1CCND3
SCHEMBL24676911 0.79 CDK4 (0.38) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676681 0.78 CDK2 (0.54) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24675989 0.77 CDK2 (0.37) CDK2CCNE1CDK1CCNB1CDK4

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