SCHEMBL13200475

SCHEMBL13200475

CC(C)(C)c1cc(NC(=O)Cc2ccc(OCCN3CCOCC3)cc2)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.56
EPHX2 P34913 9/20 0.53
MAPK13 O15264 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
ACACB O00763 1/20 0.49
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
KDR P35968 1/20 0.46
DDR1 Q08345 1/20 0.46
GLS O94925 2/20 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
SCHEMBL13234617 0.86 FLT3 (0.69) FLT3EPHX2MAPK13MAPK9MAPK12
SCHEMBL13200082 0.84 EGFR (0.61) FLT3EPHX2CSF1RRETPDGFRB
SCHEMBL1257375 0.80 POLB (0.44) FLT3KDR
SCHEMBL14680013 0.80 FLT3 (0.42) FLT3EPHX2SMN1; SMN2
SCHEMBL13200803 0.79 KMT2A (0.61) MAPK14SMN1; SMN2RETKDM4EALDH1A1
SCHEMBL14673703 0.78 POLB (0.42) FLT3CSF1RRETKDR
SCHEMBL2961183 0.77 MAPK14 (0.47) FLT3MAPK14SMN1; SMN2KDM4EALDH1A1
SCHEMBL13200487 0.77 ALDH1A1 (0.45) FLT3MAPK13MAPK14SMN1; SMN2RET
SCHEMBL13200489 0.77 CNR2 (0.50) MAPK14RETKDM4EALDH1A1
SCHEMBL1255965 0.75 KDR (0.43) EPHX2RETKDR

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