SCHEMBL14214728

SCHEMBL14214728

NC(=O)c1ccc(Nc2ncnc(-n3c(N)nc4ccccc43)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
PIK3CA P42336 6/20 0.51
MTOR P42345 6/20 0.51
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
SCN9A Q15858 3/20 0.47
AURKA O14965 4/20 0.47
AURKB Q96GD4 3/20 0.46
JAK2 O60674 2/20 0.46
LCK P06239 2/20 0.45
KDR P35968 2/20 0.45
MAPK14 Q16539 2/20 0.45
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
PIK3CD O00329 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL14214732 0.90 SCN9A (0.59) PIK3CAMTORSCN9APIK3CDPIK3CB
SCHEMBL3244139 0.87 PIK3CA (0.55) PIK3CAMTORSCN9AAURKAJAK2
SCHEMBL14214617 0.85 KDR (0.53) PIK3CAMTORSCN9ALCKKDR
SCHEMBL14380901 0.84 MKNK1 (0.69) MKNK1MKNK2MAPK8MAPK10AURKA
SCHEMBL14214626 0.83 CDK1 (0.47) PIK3CAMTORAURKAAURKBJAK2
SCHEMBL14214627 0.83 AURKA (0.48) PIK3CAMTORMAPK8MAPK10AURKA
SCHEMBL6479199 0.80 PIK3CA (0.52) PIK3CAMTORSCN9AAURKAJAK2
SCHEMBL14214724 0.79 NOD1 (0.47) PIK3CAMTORSCN9ALCKKDR
SCHEMBL14214682 0.78 PIK3CA (0.45) PIK3CAMTORLCKKDRMAPK14
SCHEMBL14214621 0.76 KDR (0.57) PIK3CAMTORAURKBLCKKDR

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-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed