SCHEMBL13200014

SCHEMBL13200014

CC(C)(C)c1cc(CC(=O)Nc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.53
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
S1PR5 Q9H228 1/20 0.48
MAPK13 O15264 1/20 0.48
RAF1 P04049 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
RAB9A P51151 7/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LTA4H P09960 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL13199998 0.85 FLT3 (0.48) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13234616 0.84 RAF1 (0.69) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13200008 0.84 FLT3 (0.46) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13200526 0.84 RAF1 (0.67) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13199940 0.83 FLT3 (0.65) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13200627 0.83 FLT3 (0.48) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13200000 0.82 MAPT (0.53) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13234781 0.82 FLT3 (0.81) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13199994 0.82 FLT3 (0.47) FLT3MAPK13RAF1MAPK12MAPK11
SCHEMBL13200476 0.80 FLT3 (0.65) FLT3MAPK13RAF1MAPK12MAPK11

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