SCHEMBL13200645

SCHEMBL13200645

COc1cc(OC)nc(Oc2ccccc2C(=O)Nc2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.54
RET P07949 6/20 0.47
ROCK1 Q13464 1/20 0.46
RAF1 P04049 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
NTRK1 P04629 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CSF1R P07333 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13234743 0.89 FLT3 (0.58) FLT3RETRAF1MAPK13MAPK12
SCHEMBL13200354 0.88 RET (0.51) FLT3RETROCK1RAF1NTRK1
SCHEMBL13200343 0.85 FLT3 (0.54) FLT3RETROCK1RAF1MAPK13
SCHEMBL13200432 0.84 RAF1 (0.58) FLT3RETRAF1MAPK13MAPK12
SCHEMBL13200701 0.83 FLT3 (0.54) FLT3RETROCK1RAF1NTRK1
SCHEMBL13200093 0.80 FLT3 (0.66) FLT3RETROCK1RAF1NTRK1
SCHEMBL13200347 0.79 FLT3 (0.52) FLT3RETRAF1NTRK1
SCHEMBL13200219 0.79 FLT3 (0.64) FLT3RETROCK1RAF1MAPK13
SCHEMBL13200336 0.78 FLT3 (0.52) FLT3RETROCK1RAF1NTRK1
SCHEMBL13200037 0.77 FLT3 (0.73) FLT3RETROCK1RAF1MAPK13

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