SCHEMBL12179357

SCHEMBL12179357

COc1cc([N+](=O)[O-])ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.71
INSR P06213 6/20 0.71
IGF1R P08069 6/20 0.71
ZAP70 P43403 2/20 0.68
MAPK9 P45984 7/20 0.66
MAPK10 P53779 7/20 0.66
MAPK8 P45983 6/20 0.66
CDC7 O00311 3/20 0.60
DAPK3 O43293 3/20 0.60
JAK2 O60674 3/20 0.60
PRKD3 O94806 3/20 0.60
PAK4 O96013 3/20 0.60
CDK2 P24941 3/20 0.60
CLK2 P49760 3/20 0.60
DYRK1A Q13627 3/20 0.60
MELK Q14680 3/20 0.60
MINK1 Q8N4C8 3/20 0.60
MAP4K5 Q9Y4K4 3/20 0.60
PLK4 O00444 2/20 0.60
CHEK1 O14757 2/20 0.60

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
SCHEMBL2589418 0.90 ZAP70 (0.67) ALKINSRIGF1RZAP70MAPK9
SCHEMBL30631286 0.90 ZAP70 (0.67) ALKINSRIGF1RZAP70MAPK9
SCHEMBL2594892 0.84 ULK1 (0.65) ALKINSRIGF1RZAP70MAPK9
SCHEMBL11916506 0.83 ALK (1.00) ALKINSRIGF1RZAP70MAPK9
SCHEMBL13832205 0.78 ALK (0.67) ALKINSRIGF1RZAP70
SCHEMBL2595609 0.78 ALK (0.71) ALKINSRIGF1RZAP70MAPK9
SCHEMBL30631285 0.78 ALK (0.71) ALKINSRIGF1RZAP70MAPK9
Hydrochloric Acid SCHEMBL2592568 0.77 ALK (0.70) ALKINSRIGF1RZAP70MAPK9
SCHEMBL14982993 0.77 ULK1 (0.67) ALKINSRIGF1RMAPK9MAPK10
SCHEMBL17792883 0.76 ZAP70 (0.57) ALKINSRIGF1RZAP70MAPK9

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-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed