SCHEMBL13200580

SCHEMBL13200580

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

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.72
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ROCK1 Q13464 1/20 0.57
RAF1 P04049 1/20 0.55
RET P07949 4/20 0.54
EGFR P00533 1/20 0.52
NTRK1 P04629 1/20 0.52

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 0.96 FLT3 (0.73) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL13200615 0.90 FLT3 (0.62) FLT3RAF1RETNTRK1
SCHEMBL13200041 0.90 FLT3 (0.62) FLT3ROCK1RAF1RETEGFR
SCHEMBL13200061 0.89 FLT3 (0.61) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL13200558 0.86 RAF1 (0.59) FLT3NPC1RAB9AROCK1RAF1
SCHEMBL13200522 0.85 FLT3 (0.69) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL13200555 0.85 FLT3 (0.73) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL13200418 0.85 FLT3 (0.73) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL13200045 0.85 TRPV1 (0.56) FLT3ROCK1RAF1RETNTRK1
SCHEMBL13200025 0.84 FLT3 (0.60) FLT3KMT2AMEN1NPC1RAB9A

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