SCHEMBL13234366

SCHEMBL13234366

CCCOc1ccc(Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.64
MAPK14 Q16539 2/20 0.64
MAPK13 O15264 1/20 0.64
MAPK12 P53778 1/20 0.64
MAPK11 Q15759 1/20 0.64
RIPK2 O43353 1/20 0.63
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
RET P07949 2/20 0.58
BRAF P15056 1/20 0.57
KDR P35968 1/20 0.56
FLT3 P36888 2/20 0.56

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
SCHEMBL13234364 0.94 RAF1 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234576 0.88 RAB9A (0.72) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL668246 0.87 RAF1 (0.71) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL18781528 0.85 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234371 0.85 RAF1 (0.86) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234374 0.85 RAF1 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234376 0.84 RAF1 (0.70) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13264509 0.83 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234659 0.83 RAF1 (0.71) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234363 0.82 RAF1 (0.67) 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