SCHEMBL12878281

SCHEMBL12878281

NCc1ccc(Nc2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 18/20 0.79
▸ DAPK3 O43293 1/20 0.57
▸ STK17B O94768 1/20 0.57
▸ DAPK1 P53355 1/20 0.57
▸ STK17A Q9UEE5 1/20 0.57
▸ NTRK1 P04629 2/20 0.57

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
SCHEMBL12439852 0.89 IGF1R (0.77) IGF1R
SCHEMBL11338910 0.88 IGF1R (1.00) IGF1RNTRK1
SCHEMBL15109533 0.88 IGF1R (0.79) IGF1RDAPK3STK17BDAPK1STK17A
SCHEMBL12783949 0.87 IGF1R (0.78) IGF1RDAPK3STK17BDAPK1STK17A
SCHEMBL4469873 0.84 IGF1R (1.00) IGF1R
SCHEMBL12783997 0.83 IGF1R (0.71) IGF1RNTRK1
SCHEMBL2070672 0.81 IGF1R (0.68) IGF1RDAPK3NTRK1
SCHEMBL4745545 0.80 IGF1R (0.59) IGF1RDAPK3STK17BDAPK1STK17A
SCHEMBL12784018 0.80 IGF1R (0.81) IGF1R
SCHEMBL11343917 0.79 IGF1R (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011019405-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-17 — — WO disclosed
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