SCHEMBL4455819

SCHEMBL4455819

O=C(O)NCc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.79
NTRK1 P04629 3/20 0.69

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
SCHEMBL11340935 0.88 IGF1R (1.00) IGF1R
SCHEMBL11338910 0.85 IGF1R (1.00) IGF1RNTRK1
SCHEMBL14050435 0.84 IGF1R (0.84) IGF1R
SCHEMBL11341250 0.84 IGF1R (1.00) IGF1RNTRK1
SCHEMBL4455738 0.83 IGF1R (1.00) IGF1R
SCHEMBL11342377 0.82 IGF1R (0.88) IGF1RNTRK1
SCHEMBL12438096 0.82 IGF1R (1.00) IGF1RNTRK1
SCHEMBL11341966 0.81 IGF1R (1.00) IGF1R
SCHEMBL11346404 0.81 IGF1R (0.82) IGF1R
SCHEMBL11343486 0.80 IGF1R (0.83) 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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed