SCHEMBL4753008

SCHEMBL4753008

C=CCCOc1cc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)c(COCC=C)c3)n2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.47
CDK2 P24941 10/20 0.47
CCNA1 P78396 9/20 0.47
CDK4 P11802 5/20 0.47
CCND3 P30281 5/20 0.47
GSK3B P49841 5/20 0.47
PIM1 P11309 3/20 0.47
MTOR P42345 3/20 0.47
SYK P43405 2/20 0.43
CCNT1 O60563 1/20 0.41
CCNK O75909 1/20 0.41
CDK14 O94921 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
PRKCA P17252 1/20 0.41
CCND1 P24385 1/20 0.41
CCNC P24863 1/20 0.41
CCNE1 P24864 1/20 0.41
FLT3 P36888 1/20 0.41
CDK8 P49336 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
SCHEMBL14022861 0.87 CCNA2 (0.52) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL14023924 0.87 CCNA2 (0.47) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4749275 0.82 ABL1 (0.39) SYK
SCHEMBL4752216 0.82 IGF1R (0.39) CDK2SYK
SCHEMBL4813575 0.79 EGFR (0.37)
SCHEMBL31679503 0.75 JAK3 (0.51) CCND3CDK6NTRK3
SCHEMBL4752976 0.72 AXL (0.46) CDK2CDK4SYKCDK14FLT3
SCHEMBL14023524 0.72 RET (0.38) CDK2MTORSYKCDK1CCNB1
SCHEMBL4751809 0.71 ABL1 (0.42) SYK
SCHEMBL824059 0.71 MAPT (0.45) CDK2CDK4GSK3BMTORCDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed