SCHEMBL13200111

SCHEMBL13200111

CC(C)(C)c1cc(NC(=O)c2ccc(OCCc3ccncc3)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.58
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
MAPK13 O15264 1/20 0.54
MAPK14 Q16539 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAF1 P04049 3/20 0.53
RIPK2 O43353 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
KDR P35968 3/20 0.49
ALK Q9UM73 2/20 0.49
AURKA O14965 2/20 0.49
GCK P35557 1/20 0.48
STAT3 P40763 1/20 0.48

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
SCHEMBL13234580 0.87 RAF1 (0.72) FLT3MAPK13MAPK14RAF1RIPK2
SCHEMBL13200115 0.82 LMNA (0.54) FLT3LMNAMAPTMAPK13MAPK14
SCHEMBL13200145 0.82 RAF1 (0.53) FLT3MAPK13MAPK14RAF1RIPK2
SCHEMBL2949523 0.82 RAF1 (0.70) FLT3MAPK13MAPK14RAF1RIPK2
SCHEMBL13200112 0.77 ALDH1A1 (0.54) FLT3LMNAMAPK14SMN1; SMN2NPC1
SCHEMBL13234659 0.77 RAF1 (0.71) FLT3MAPK13MAPK14RAF1RIPK2
SCHEMBL13234582 0.76 MAPK14 (0.73) FLT3MAPK13MAPK14RAF1RIPK2
SCHEMBL13200648 0.76 GRM5 (0.59) FLT3LMNAMAPTSMN1; SMN2RAF1
SCHEMBL23657475 0.74 SMN1; SMN2 (0.64) FLT3LMNAMAPTSMN1; SMN2RAF1
SCHEMBL17675367 0.74 SMN1; SMN2 (0.64) FLT3LMNAMAPTMAPK14SMN1; SMN2

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