SCHEMBL13200042

SCHEMBL13200042

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3c(F)cccc3F)cc2)no1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.62
MAPK14 Q16539 1/20 0.53
ROCK1 Q13464 1/20 0.52
RET P07949 6/20 0.52
NTRK1 P04629 1/20 0.52
RAF1 P04049 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 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
SCHEMBL13200590 0.88 FLT3 (0.62) FLT3MAPK14ROCK1RETNTRK1
SCHEMBL13234707 0.86 MAPK14 (0.72) FLT3MAPK14RETRAF1MEN1
SCHEMBL13200234 0.85 FLT3 (0.59) FLT3MAPK14ROCK1RETNTRK1
SCHEMBL13200037 0.84 FLT3 (0.73) FLT3MAPK14ROCK1RETNTRK1
SCHEMBL13200580 0.82 FLT3 (0.72) FLT3ROCK1RETNTRK1RAF1
SCHEMBL13200025 0.82 FLT3 (0.60) FLT3ROCK1RETNTRK1RAF1
SCHEMBL13200140 0.82 FLT3 (0.60) FLT3ROCK1RETNTRK1RAF1
SCHEMBL13200093 0.81 FLT3 (0.66) FLT3ROCK1RETNTRK1RAF1
SCHEMBL13200052 0.81 FLT3 (0.75) FLT3ROCK1RETNTRK1RAF1
SCHEMBL13200615 0.81 FLT3 (0.62) FLT3RETNTRK1RAF1

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
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed