SCHEMBL12438558

SCHEMBL12438558

C=C(CCc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)c1)N1CCN(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.65
JAK3 P52333 2/20 0.47
JAK2 O60674 1/20 0.47
TBK1 Q9UHD2 1/20 0.44

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
SCHEMBL11343920 0.93 IGF1R (0.77) IGF1RJAK3JAK2TBK1
SCHEMBL14050601 0.86 IGF1R (0.62) IGF1R
SCHEMBL11342893 0.84 IGF1R (0.75) IGF1R
SCHEMBL4459249 0.82 IGF1R (0.76) IGF1RTBK1
SCHEMBL12438498 0.81 IGF1R (0.63) IGF1RTBK1
SCHEMBL11345387 0.81 IGF1R (0.75) IGF1RJAK2
SCHEMBL4454928 0.80 IGF1R (0.78) IGF1RTBK1
SCHEMBL11342847 0.80 IGF1R (0.74) IGF1RTBK1
SCHEMBL4558159 0.79 IGF1R (0.78) IGF1RTBK1
SCHEMBL11938447 0.78 IGF1R (0.56) IGF1R

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 3 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
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed