SCHEMBL13200097

SCHEMBL13200097

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3ccnc4ccccc34)cc2)no1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.59
RET P07949 9/20 0.56
ROCK1 Q13464 1/20 0.54
NTRK1 P04629 1/20 0.51
CSF1R P07333 3/20 0.48
RAF1 P04049 1/20 0.48
PDGFRB P09619 2/20 0.47
KIT P10721 2/20 0.47
PDGFRA P16234 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL13234839 0.88 FLT3 (0.69) FLT3RETCSF1RRAF1PDGFRB
SCHEMBL13200150 0.83 FLT3 (0.78) FLT3RETROCK1NTRK1CSF1R
SCHEMBL13200052 0.82 FLT3 (0.75) FLT3RETROCK1NTRK1CSF1R
SCHEMBL13200093 0.82 FLT3 (0.66) FLT3RETROCK1NTRK1CSF1R
SCHEMBL13200219 0.82 FLT3 (0.64) FLT3RETROCK1NTRK1CSF1R
SCHEMBL13200695 0.81 RET (0.60) FLT3RETROCK1NTRK1MEN1
SCHEMBL13200037 0.81 FLT3 (0.73) FLT3RETROCK1NTRK1RAF1
SCHEMBL13200153 0.81 FLT3 (0.58) FLT3RETROCK1NTRK1CSF1R
SCHEMBL13200702 0.80 FLT3 (0.60) FLT3RETROCK1NTRK1CSF1R
SCHEMBL13200063 0.80 FLT3 (0.60) FLT3RETROCK1NTRK1CSF1R

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