SCHEMBL13200432

SCHEMBL13200432

COc1cc(OC)nc(Oc2cccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.58
FLT3 P36888 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RET P07949 2/20 0.48
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
NTRK1 P04629 1/20 0.45

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
SCHEMBL13200336 0.86 FLT3 (0.52) RAF1FLT3MEN1KMT2ARET
SCHEMBL13200645 0.84 FLT3 (0.54) RAF1FLT3MEN1KMT2ARET
SCHEMBL13200358 0.84 FLT3 (0.49) RAF1FLT3MEN1KMT2ARET
SCHEMBL13200354 0.82 RET (0.51) RAF1FLT3RETNTRK1
SCHEMBL13200347 0.82 FLT3 (0.52) RAF1FLT3RETNTRK1
SCHEMBL13200701 0.82 FLT3 (0.54) RAF1FLT3RETNTRK1
SCHEMBL13200037 0.80 FLT3 (0.73) RAF1FLT3MEN1KMT2ARET
SCHEMBL13200025 0.80 FLT3 (0.60) RAF1FLT3MEN1KMT2ARET
SCHEMBL13200343 0.78 FLT3 (0.54) RAF1FLT3MEN1KMT2ARET
SCHEMBL13200166 0.77 FLT3 (0.55) RAF1FLT3MEN1KMT2ARET

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