SCHEMBL13200037

SCHEMBL13200037

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3ccccc3)cc2)no1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.73
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
RAF1 P04049 2/20 0.57
ROCK1 Q13464 1/20 0.57
RET P07949 3/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
NTRK1 P04629 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54

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
SCHEMBL13200580 0.96 FLT3 (0.72) FLT3MEN1KMT2ANPC1RAB9A
SCHEMBL13200041 0.90 FLT3 (0.62) FLT3RAF1ROCK1RETNTRK1
SCHEMBL13200615 0.90 FLT3 (0.62) FLT3RAF1RETNTRK1
SCHEMBL13200061 0.89 FLT3 (0.61) FLT3MEN1KMT2ANPC1RAB9A
SCHEMBL13200025 0.89 FLT3 (0.60) FLT3MEN1KMT2ANPC1RAB9A
SCHEMBL13200046 0.89 FLT3 (0.76) FLT3NPC1RAB9ARAF1ROCK1
SCHEMBL13200131 0.86 FLT3 (0.60) FLT3RAF1ROCK1RETNTRK1
SCHEMBL13200093 0.86 FLT3 (0.66) FLT3MEN1KMT2ANPC1RAB9A
SCHEMBL13200052 0.86 FLT3 (0.75) FLT3MEN1KMT2ANPC1RAB9A
SCHEMBL13200190 0.85 FLT3 (0.59) FLT3ROCK1RETNTRK1

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