SCHEMBL4590556

SCHEMBL4590556

N#Cc1ccc2ccc(=O)n(CCO)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CDC7 O00311 1/20 0.35
SOS2 Q07890 1/20 0.34
CDK4 P11802 6/20 0.34
CCND1 P24385 6/20 0.34
CCND2 P30279 6/20 0.34
CCND3 P30281 6/20 0.34
CCNB2 O95067 2/20 0.33
CCNE2 O96020 2/20 0.33
CDK1 P06493 2/20 0.33
FGFR1 P11362 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 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
SCHEMBL27780814 0.85 CDK4 (0.46) KDM4ECDC7CDK4CCND1CCND2
SCHEMBL3847343 0.79 CDC7 (0.35) CDC7SOS2CDK4CCND1CCND2
SCHEMBL3869532 0.78 SCN7A (0.42) MEN1KMT2AKDM4EHSD17B10SCN7A
SCHEMBL3839505 0.78 ALDH1A1 (0.39) MEN1KMT2AKDM4ECDC7HSD17B10
SCHEMBL28645958 0.76 CDK4 (0.37) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL19231460 0.76 CDC7 (0.44) CDC7SOS2CDK4CCND1CCND2
Trifluoroacetic Acid SCHEMBL4590390 0.71 JAK3 (0.35) SCN7ASCN5ASCN2ASCN8AKCNH2
SCHEMBL23510554 0.69 CDK4 (0.44) CDC7CDK4CCND1CCND2CCND3
SCHEMBL27780816 0.67 CDC7 (0.35) CDC7SOS2
SCHEMBL21663753 0.65 CDC7 (0.47) KDM4ECDC7SOS2MAPTSRC

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-2008071964-A1 NAPHTHYRIDINE BACTERICIDES ASTRAZENECA AB (SE) 2008-06-19 WO disclosed