SCHEMBL13200317

SCHEMBL13200317

Cc1nc(N)cc(Nc2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 13/20 0.58
▸ FLT3 P36888 1/20 0.55
▸ NTRK1 P04629 1/20 0.54
▸ EGFR P00533 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ ROCK1 Q13464 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ RAF1 P04049 1/20 0.46
▸ GAPDH P04406 1/20 0.46

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
SCHEMBL13234900 0.85 MAPK14 (0.61) FLT3CSF1RKDRRAF1
SCHEMBL9978507 0.80 FLT3 (0.62) RETFLT3NTRK1EGFRAURKA
SCHEMBL13199933 0.79 GAPDH (0.71) RETFLT3NTRK1EGFRROCK1
SCHEMBL13199999 0.78 FLT3 (0.60) RETFLT3NTRK1EGFRCSF1R
SCHEMBL13200480 0.77 FLT3 (0.48) RETFLT3NTRK1EGFRKDR
SCHEMBL1256935 0.77 RET (0.54) RETFLT3NTRK1EGFRAURKA
SCHEMBL13200780 0.77 FLT3 (0.63) RETFLT3NTRK1EGFRCSF1R
SCHEMBL13200570 0.76 FLT3 (0.60) RETFLT3NTRK1EGFRROCK1
SCHEMBL13234883 0.76 MAPK14 (0.62) FLT3KDRRAF1
SCHEMBL13200011 0.76 RET (0.57) RETFLT3NTRK1EGFRAURKA

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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