SCHEMBL13393598

SCHEMBL13393598

CNC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCN(C(C)C)CC3)cc2OC)nc2[nH]ccc12

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 19/20 0.85
▸ INSR P06213 1/20 0.66
▸ MAPK8 P45983 1/20 0.66
▸ MAPK10 P53779 1/20 0.66
▸ ALK Q9UM73 1/20 0.66
▸ PTK2 Q05397 1/20 0.62

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
SCHEMBL13393645 0.91 IGF1R (0.80) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL12429376 0.87 IGF1R (0.86) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL12429488 0.86 IGF1R (1.00) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL15219359 0.85 IGF1R (0.84) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL13393644 0.84 IGF1R (0.85) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL12429560 0.82 IGF1R (0.90) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL12429321 0.81 IGF1R (1.00) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL12429561 0.81 IGF1R (1.00) IGF1RINSRMAPK8MAPK10ALK
Gsk-1220512A SCHEMBL12429476 0.81 IGF1R (1.00) IGF1RINSRMAPK8MAPK10ALK
SCHEMBL11918997 0.81 IGF1R (0.82) IGF1RINSRMAPK8MAPK10ALK

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-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — WO disclosed
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