SCHEMBL13200570

SCHEMBL13200570

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.60
EGFR P00533 2/20 0.58
RET P07949 9/20 0.57
ROCK1 Q13464 1/20 0.57
NTRK1 P04629 1/20 0.53
GAPDH P04406 1/20 0.52
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL13200383 0.89 RET (0.62) FLT3EGFRRETROCK1NTRK1
SCHEMBL9978507 0.87 FLT3 (0.62) FLT3EGFRRETROCK1NTRK1
SCHEMBL13200558 0.86 RAF1 (0.59) FLT3EGFRRETROCK1NTRK1
SCHEMBL13200780 0.86 FLT3 (0.63) FLT3EGFRRETROCK1NTRK1
SCHEMBL13199933 0.86 GAPDH (0.71) FLT3EGFRRETROCK1NTRK1
SCHEMBL1256800 0.85 FLT3 (0.62) FLT3EGFRRETROCK1NTRK1
SCHEMBL13200555 0.82 FLT3 (0.73) FLT3EGFRRETROCK1NTRK1
SCHEMBL13199934 0.82 KDM4E (0.71) FLT3EGFRRETROCK1NTRK1
SCHEMBL13200522 0.82 FLT3 (0.69) FLT3EGFRRETROCK1NTRK1
SCHEMBL13200580 0.82 FLT3 (0.72) FLT3EGFRRETROCK1NTRK1

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