SCHEMBL8189145

SCHEMBL8189145

COc1cc(C2=NN2C(F)(F)F)c(I)cc1C(=O)Nc1ccc2c(c1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 4/20 0.46
FLT3 P36888 2/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
MYLK Q15746 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ROCK2 O75116 2/20 0.43
PRKG1 Q13976 1/20 0.43
ITGB3 P05106 6/20 0.41
ITGA2B P08514 5/20 0.41
ITGA2 P17301 4/20 0.41
SLC2A1 P11166 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 1/20 0.37

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
SCHEMBL8446026 0.85 ROCK2 (0.41) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL8184272 0.84 P2RX7 (0.38) MEN1RAB9AKMT2A
SCHEMBL6299458 0.78 FLT3 (0.46) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL6298392 0.78 FLT3 (0.40) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL8189151 0.77 MELK (0.44) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL7801344 0.73 MELK (0.55) MELKROCK2PRKG1ITGB3ITGA2B
SCHEMBL6294917 0.72 FLT3 (0.35) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL6298345 0.70 ROCK2 (0.61) MELKROCK2PRKG1ITGB3ITGA2B
SCHEMBL6717457 0.69 MELK (0.52) MELKFLT3ROCK2PRKG1ITGB3
SCHEMBL8185147 0.69 MELK (0.57) MELKFLT3CAMK2GCAMK2DMYLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed