SCHEMBL28468008

SCHEMBL28468008

CCC(=O)ONC(=N)c1c(C)c2cnc(SC)nc2n(C2CCCC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.44
CCND1 P24385 17/20 0.44
CCND3 P30281 14/20 0.44
CCND2 P30279 9/20 0.44
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
CDK2 P24941 8/20 0.44
CDK6 Q00534 8/20 0.44
CDK1 P06493 1/20 0.44
CCNE1 P24864 1/20 0.44
CCNA2 P20248 6/20 0.43
CCNA1 P78396 4/20 0.43
FGFR1 P11362 3/20 0.43
FGFR2 P21802 3/20 0.43
FGFR4 P22455 3/20 0.43
FGFR3 P22607 3/20 0.43
NUAK1 O60285 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL28468009 0.84 CDK4 (0.42) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL4832697 0.82 CDK4 (0.57) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL28467128 0.82 CDK4 (0.54) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL19021358 0.81 CDK4 (0.60) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL28463249 0.78 CDK4 (0.45) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL6943376 0.74 CDK4 (0.52) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL29507845 0.74 CDK4 (0.52) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL4826130 0.74 CDK4 (0.52) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL4825233 0.74 CDK4 (0.52) CDK4CCND1CCND3CCND2CCNT1
SCHEMBL1227553 0.74 PIK3CA (0.44) CDK4CCND1CCND3CCND2CCNT1

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
CN-108191857-B 6-substituted pyrido [2,3-D ] pyrimidines as protein kinase inhibitors 晟科药业(江苏)有限公司 2020-10-23 CN disclosed