SCHEMBL12439355

SCHEMBL12439355

COc1cc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)cc(C(C)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.57
NTRK1 P04629 1/20 0.41
JAK2 O60674 1/20 0.40

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
SCHEMBL11349278 0.94 IGF1R (0.58) IGF1RNTRK1JAK2
SCHEMBL12439373 0.92 IGF1R (0.49) IGF1R
SCHEMBL12439376 0.89 IGF1R (0.47) IGF1R
SCHEMBL15095996 0.87 IGF1R (0.62) IGF1RNTRK1
SCHEMBL11349785 0.84 IGF1R (0.48) IGF1R
SCHEMBL12439775 0.84 IGF1R (0.59) IGF1RNTRK1
SCHEMBL11340826 0.84 IGF1R (0.69) IGF1RNTRK1
SCHEMBL11340156 0.83 IGF1R (0.71) IGF1RNTRK1
SCHEMBL14161939 0.83 IGF1R (0.58) IGF1RNTRK1
SCHEMBL15256279 0.83 IGF1R (0.58) IGF1RNTRK1

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 4 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
WO-2008005538-A2 METHODS OF USING IGF1R AND ABL KINASE MODULATORS EXELIXIS, INC. (US) 2008-01-10 WO disclosed