SCHEMBL13200029

SCHEMBL13200029

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.55
RAF1 P04049 4/20 0.49
RET P07949 4/20 0.47
ROCK1 Q13464 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NTRK1 P04629 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL13234695 0.88 FLT3 (0.69) FLT3RAF1RETNPC1RAB9A
SCHEMBL13200037 0.84 FLT3 (0.73) FLT3RAF1RETROCK1NPC1
SCHEMBL13200025 0.83 FLT3 (0.60) FLT3RAF1RETROCK1NPC1
SCHEMBL13200045 0.80 TRPV1 (0.56) FLT3RAF1RETROCK1NTRK1
SCHEMBL13200580 0.80 FLT3 (0.72) FLT3RAF1RETROCK1NPC1
SCHEMBL13200046 0.79 FLT3 (0.76) FLT3RAF1RETROCK1NPC1
SCHEMBL13200042 0.79 FLT3 (0.62) FLT3RAF1RETROCK1NPC1
SCHEMBL13200041 0.79 FLT3 (0.62) FLT3RAF1RETROCK1NTRK1
SCHEMBL13200615 0.79 FLT3 (0.62) FLT3RAF1RETNTRK1
SCHEMBL13200061 0.78 FLT3 (0.61) FLT3RAF1RETNPC1RAB9A

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