SCHEMBL12438684

SCHEMBL12438684

COc1cc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc(SC)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.84
NTRK1 P04629 1/20 0.61

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
SCHEMBL11338898 0.92 IGF1R (1.00) IGF1RNTRK1
SCHEMBL11348581 0.81 IGF1R (1.00) IGF1RNTRK1
SCHEMBL11342135 0.78 IGF1R (1.00) IGF1RNTRK1
SCHEMBL11341250 0.78 IGF1R (1.00) IGF1RNTRK1
SCHEMBL11346404 0.77 IGF1R (0.82) IGF1R
SCHEMBL11343486 0.76 IGF1R (0.83) IGF1RNTRK1
SCHEMBL11339535 0.76 IGF1R (1.00) IGF1R
SCHEMBL11347979 0.75 IGF1R (1.00) IGF1RNTRK1
SCHEMBL11344767 0.74 IGF1R (1.00) IGF1RNTRK1
SCHEMBL11341602 0.74 IGF1R (1.00) 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 1 patent. 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