SCHEMBL13199962

SCHEMBL13199962

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.67
CSF1R P07333 2/20 0.67
NTRK1 P04629 2/20 0.67
KDR P35968 1/20 0.67
KCNH2 Q12809 1/20 0.67
CCDC6 Q16204 1/20 0.67
EGFR P00533 3/20 0.63
AURKA O14965 1/20 0.63
MAP4K4 O95819 1/20 0.63
AURKB Q96GD4 1/20 0.63
FLT3 P36888 1/20 0.58
ROCK1 Q13464 1/20 0.56
GAA P10253 1/20 0.53
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
GAPDH P04406 1/20 0.51
RAF1 P04049 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL13200780 0.85 FLT3 (0.63) RETCSF1RNTRK1KDRKCNH2
SCHEMBL13199933 0.85 GAPDH (0.71) RETNTRK1EGFRFLT3ROCK1
SCHEMBL9978507 0.84 FLT3 (0.62) RETCSF1RNTRK1EGFRAURKA
SCHEMBL1256800 0.84 FLT3 (0.62) RETCSF1RNTRK1KDRKCNH2
SCHEMBL13200383 0.82 RET (0.62) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3386505 0.82 RET (0.65) RETCSF1RNTRK1KDRKCNH2
SCHEMBL17315096 0.82 RET (1.00) RETCSF1RNTRK1KDRKCNH2
SCHEMBL9978889 0.82 KMT2A (0.58) RETCSF1RNTRK1KDRKCNH2
SCHEMBL13200555 0.81 FLT3 (0.73) RETNTRK1EGFRFLT3ROCK1
SCHEMBL13200570 0.81 FLT3 (0.60) RETNTRK1EGFRFLT3ROCK1

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