SCHEMBL4668540

SCHEMBL4668540

NC1c2ccccc2C(c2ccccc2)=NN1c1ccc(Oc2ccncc2-c2ccnc(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.33
ALOX5AP P20292 5/20 0.33
BTK Q06187 1/20 0.32
MET P08581 1/20 0.32
NFATC1 O95644 1/20 0.31
DYRK1A Q13627 1/20 0.31
GRM5 P41594 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
PDE10A Q9Y233 2/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL4667120 0.79 AXL (0.33) BTKMETNFATC1DYRK1AGRM5
SCHEMBL4442004 0.72 CCNC (0.46) BTKMETCCNCCDK8
SCHEMBL4441986 0.67 MEN1 (0.45)
SCHEMBL4668233 0.67 AURKA (0.37) PDE10A
SCHEMBL581802 0.66 AURKA (0.48) MET
SCHEMBL1894762 0.63 NCOA1 (0.66) BTKNCOA1NCOA3
SCHEMBL14165630 0.63 BTK (0.51) BTKNCOA1NCOA3
SCHEMBL14165320 0.60 BTK (0.48) BTK
SCHEMBL29421428 0.59 FEN1 (0.54) FEN1
SCHEMBL14165886 0.58 NCOA1 (0.58) BTKNCOA1NCOA3

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
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed