SCHEMBL13200025

SCHEMBL13200025

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)no1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.60
RAF1 P04049 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
RET P07949 4/20 0.51
ROCK1 Q13464 1/20 0.51
NTRK1 P04629 1/20 0.50

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
SCHEMBL13200037 0.89 FLT3 (0.73) FLT3RAF1SMN1; SMN2MEN1NPC1
SCHEMBL13234694 0.86 FLT3 (0.77) FLT3RAF1MEN1NPC1RAB9A
SCHEMBL13200041 0.85 FLT3 (0.62) FLT3RAF1RETROCK1NTRK1
SCHEMBL31224659 0.85 SMN1; SMN2 (0.67) FLT3RAF1SMN1; SMN2MEN1NPC1
SCHEMBL13200580 0.84 FLT3 (0.72) FLT3RAF1MEN1NPC1RAB9A
SCHEMBL13200046 0.84 FLT3 (0.76) FLT3RAF1SMN1; SMN2NPC1RAB9A
SCHEMBL13200615 0.83 FLT3 (0.62) FLT3RAF1RETNTRK1
SCHEMBL13200029 0.83 FLT3 (0.55) FLT3RAF1SMN1; SMN2MEN1NPC1
SCHEMBL1256800 0.83 FLT3 (0.62) FLT3RAF1NPC1RAB9ARET
SCHEMBL13200061 0.82 FLT3 (0.61) FLT3RAF1SMN1; SMN2MEN1NPC1

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