SCHEMBL13200045

SCHEMBL13200045

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3ccc(SC(F)(F)F)cc3)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
FLT3 P36888 9/20 0.56
RET P07949 6/20 0.49
NTRK1 P04629 1/20 0.49
ROCK1 Q13464 1/20 0.47
RAF1 P04049 2/20 0.47

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
SCHEMBL13234703 0.87 FLT3 (0.72) TRPV1FLT3RETRAF1
SCHEMBL13200615 0.86 FLT3 (0.62) FLT3RETNTRK1RAF1
SCHEMBL13200041 0.86 FLT3 (0.62) FLT3RETNTRK1ROCK1RAF1
SCHEMBL13200061 0.85 FLT3 (0.61) FLT3RETNTRK1RAF1
SCHEMBL13200037 0.85 FLT3 (0.73) FLT3RETNTRK1ROCK1RAF1
SCHEMBL13200580 0.85 FLT3 (0.72) FLT3RETNTRK1ROCK1RAF1
SCHEMBL13200558 0.80 RAF1 (0.59) FLT3RETNTRK1ROCK1RAF1
SCHEMBL13200131 0.80 FLT3 (0.60) FLT3RETNTRK1ROCK1RAF1
SCHEMBL13200029 0.80 FLT3 (0.55) FLT3RETNTRK1ROCK1RAF1
SCHEMBL13200323 0.79 FLT3 (0.52) FLT3RETNTRK1ROCK1RAF1

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