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SCHEMBL13200323

SCHEMBL13200323

Cc1cc(C)nc(N(C)c2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.52
▸ RAF1 P04049 2/20 0.49
▸ RET P07949 7/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL13234719 0.88 FLT3 (0.66) FLT3RAF1RET
SCHEMBL13200615 0.84 FLT3 (0.62) FLT3RAF1RETNTRK1
SCHEMBL13200041 0.82 FLT3 (0.62) FLT3RAF1RETNTRK1ROCK1
SCHEMBL13200061 0.81 FLT3 (0.61) FLT3RAF1RETNTRK1
SCHEMBL13200580 0.81 FLT3 (0.72) FLT3RAF1RETNTRK1ROCK1
SCHEMBL13200037 0.81 FLT3 (0.73) FLT3RAF1RETNTRK1ROCK1
SCHEMBL13200358 0.80 FLT3 (0.49) FLT3RAF1RETNTRK1ROCK1
SCHEMBL13200045 0.79 TRPV1 (0.56) FLT3RAF1RETNTRK1ROCK1
SCHEMBL13200131 0.78 FLT3 (0.60) FLT3RAF1RETNTRK1ROCK1
SCHEMBL13200657 0.78 FLT3 (0.55) FLT3RETNTRK1ROCK1

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