SCHEMBL12438441

SCHEMBL12438441

C=C(N)c1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.60
CDK19 Q9BWU1 1/20 0.49
ALK Q9UM73 1/20 0.49
SYK P43405 1/20 0.47

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
SCHEMBL4470599 0.92 IGF1R (0.72) IGF1RCDK19ALKSYK
SCHEMBL11339007 0.88 IGF1R (0.69) IGF1RSYK
SCHEMBL15109602 0.87 SYK (0.65) IGF1RSYK
SCHEMBL11345813 0.85 IGF1R (0.71) IGF1RSYK
SCHEMBL14050601 0.85 IGF1R (0.62) IGF1RCDK19ALK
SCHEMBL11938447 0.85 IGF1R (0.56) IGF1RSYK
SCHEMBL4466607 0.83 IGF1R (0.70) IGF1RSYK
SCHEMBL11342893 0.82 IGF1R (0.75) IGF1RCDK19ALK
SCHEMBL11340156 0.82 IGF1R (0.71) IGF1RSYK
SCHEMBL15580718 0.82 IGF1R (0.58) IGF1RSYK

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-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed