SCHEMBL24676948

SCHEMBL24676948

CNc1nc(C)c(-c2ccnc(NC3CCN(S(C)(=O)=O)CC3)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
CCNA2 P20248 5/20 0.47
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCND3 P30281 2/20 0.47
CDK6 Q00534 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
IKBKB O14920 3/20 0.45
PIK3CD O00329 5/20 0.44
PIK3CA P42336 4/20 0.44
CCNE1 P24864 1/20 0.42
PI4KB Q9UBF8 3/20 0.42
PIK3CG P48736 3/20 0.40
MAPK14 Q16539 1/20 0.40
PIK3CB P42338 3/20 0.40

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
SCHEMBL24676712 0.82 IKBKB (0.59) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676953 0.82 CDK2 (0.47) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676947 0.82 CDK2 (0.49) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676949 0.80 CDK2 (0.42) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676825 0.79 CCNA2 (0.43) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676827 0.79 CDK2 (0.42) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676951 0.79 CDK2 (0.47) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL15829838 0.77 KDM4E (0.61) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676797 0.74 CDK2 (0.62) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL24676711 0.74 CDK2 (0.60) CDK2CCNA2CCNT1CDK9CDK4

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