SCHEMBL13200212

SCHEMBL13200212

CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3nc(Cl)nc4[nH]cnc34)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 14/20 0.61
▸ NTRK1 P04629 3/20 0.56
▸ EGFR P00533 2/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ AURKA O14965 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ FLT3 P36888 1/20 0.49
▸ ROCK1 Q13464 1/20 0.46
▸ NTRK3 Q16288 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CCDC6 Q16204 1/20 0.41

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
SCHEMBL13200380 0.90 RET (0.63) RETNTRK1EGFRCSF1RAURKA
SCHEMBL13234895 0.87 NTRK1 (0.54) RETNTRK1CSF1RAURKBFLT3
SCHEMBL13200210 0.86 RET (0.74) RETNTRK1EGFRCSF1RAURKA
SCHEMBL13234896 0.76 NTRK1 (0.54) RETNTRK1CSF1RAURKBFLT3
SCHEMBL9978507 0.73 FLT3 (0.62) RETNTRK1EGFRCSF1RAURKA
SCHEMBL13234898 0.73 NTRK1 (0.64) RETNTRK1CSF1RAURKBFLT3
SCHEMBL13200131 0.73 FLT3 (0.60) RETNTRK1EGFRCSF1RFLT3
SCHEMBL13200780 0.72 FLT3 (0.63) RETNTRK1EGFRCSF1RFLT3
SCHEMBL13199933 0.72 GAPDH (0.71) RETNTRK1EGFRFLT3ROCK1
SCHEMBL13200061 0.71 FLT3 (0.61) RETNTRK1EGFRFLT3RAF1

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
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