SCHEMBL7143118

SCHEMBL7143118

NC(=O)c1cccc(-c2ccncc2)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 4/20 0.61
IKBKB O14920 4/20 0.61
IKBKE Q14164 2/20 0.61
PKMYT1 Q99640 2/20 0.61
BCAT2 O15382 1/20 0.50
PLK4 O00444 1/20 0.49
MAPK13 O15264 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
PIM1 P11309 1/20 0.49
PHKG2 P15735 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49

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
SCHEMBL1512152 0.87 BCAT2 (0.59) CHUKIKBKBIKBKEPKMYT1BCAT2
SCHEMBL28115051 0.86 IKBKB (0.54) CHUKIKBKBIKBKEPKMYT1BCAT2
SCHEMBL164881 0.84 BCAT2 (0.71) CHUKIKBKBIKBKEPKMYT1BCAT2
SCHEMBL3433069 0.84 BCAT2 (0.71) CHUKIKBKBIKBKEPKMYT1BCAT2
Hydrochloric Acid SCHEMBL4597839 0.82 BCAT2 (0.69) CHUKIKBKBIKBKEPKMYT1BCAT2
Hydrochloric Acid SCHEMBL29710331 0.82 BCAT2 (0.69) CHUKIKBKBIKBKEPKMYT1BCAT2
Hydrochloric Acid SCHEMBL9027847 0.82 BCAT2 (0.69) CHUKIKBKBIKBKEPKMYT1BCAT2
SCHEMBL3791160 0.82 BCAT2 (0.53) CHUKIKBKBIKBKEPKMYT1BCAT2
SCHEMBL2782245 0.81 CDC7 (0.50) CHUKIKBKBIKBKEPKMYT1BCAT2
SCHEMBL6448102 0.81 BCAT2 (0.67) CHUKIKBKBIKBKEPKMYT1BCAT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 EP claimed
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed