SCHEMBL13234371

SCHEMBL13234371

COc1ccc(Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.86
MAPK14 Q16539 2/20 0.71
MAPK13 O15264 1/20 0.71
MAPK12 P53778 1/20 0.71
MAPK11 Q15759 1/20 0.71
RIPK2 O43353 1/20 0.69
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
BRAF P15056 1/20 0.62
FLT3 P36888 5/20 0.62

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
SCHEMBL13234432 0.96 RAF1 (0.93) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234363 0.87 RAF1 (0.67) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234368 0.86 MAPK14 (0.72) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234365 0.86 MAPK14 (0.72) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234366 0.85 RAF1 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234374 0.83 RAF1 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234364 0.83 RAF1 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234431 0.83 RAF1 (0.78) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234576 0.83 RAB9A (0.72) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5573447 0.83 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11

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-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed