SCHEMBL13200418

SCHEMBL13200418

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)CSCC(=O)Nc3ccccc3)cc2)no1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.73
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
ROCK1 Q13464 1/20 0.56
RET P07949 7/20 0.54
NTRK1 P04629 1/20 0.52
RAF1 P04049 2/20 0.52
MAPK14 Q16539 2/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
EGFR P00533 2/20 0.50
PKM P14618 1/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL13234747 0.88 MEN1 (0.77) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200602 0.85 FLT3 (0.77) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200580 0.85 FLT3 (0.72) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200037 0.85 FLT3 (0.73) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234705 0.84 FLT3 (1.00) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200555 0.83 FLT3 (0.73) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200522 0.83 FLT3 (0.69) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234708 0.83 FLT3 (0.88) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200435 0.81 FLT3 (0.66) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200052 0.80 FLT3 (0.75) FLT3MEN1NPC1RAB9AKMT2A

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