SCHEMBL13234597

SCHEMBL13234597

CC(C)(C)c1cc(NC(=O)Nc2ccc(OCc3ccc(F)cc3)cc2)no1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.75
RAF1 P04049 10/20 0.62
MAPK13 O15264 1/20 0.62
MAPK12 P53778 1/20 0.62
MAPK11 Q15759 1/20 0.62
RIPK2 O43353 1/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
FLT3 P36888 5/20 0.57
KDR P35968 2/20 0.55

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
SCHEMBL13234570 0.93 MAPK14 (0.69) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234582 0.91 MAPK14 (0.73) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234569 0.91 RAF1 (0.63) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234551 0.90 RAF1 (0.61) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234549 0.90 RAF1 (0.60) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234596 0.90 RAF1 (0.62) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234524 0.89 RAF1 (0.74) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234568 0.89 MAPK14 (0.64) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234616 0.88 RAF1 (0.69) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL13234448 0.87 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11

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