SCHEMBL13200166

SCHEMBL13200166

COc1cccc(-c2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.55
RAF1 P04049 5/20 0.55
MAPT P10636 5/20 0.54
KMT2A Q03164 3/20 0.54
CYP2C19 P33261 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP3A4 P08684 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
ROCK1 Q13464 1/20 0.49
MEN1 O00255 2/20 0.48
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
RET P07949 4/20 0.47
NTRK1 P04629 1/20 0.46
CYP2C9 P11712 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
SCHEMBL13234788 0.90 RAF1 (0.68) FLT3RAF1MAPTKMT2AKDM4E
SCHEMBL13199988 0.81 RET (0.62) FLT3RAF1KMT2AKDM4EALDH1A1
SCHEMBL13199934 0.80 KDM4E (0.71) FLT3RAF1KMT2AKDM4EALDH1A1
SCHEMBL12066000 0.80 FLT3 (0.57) FLT3RAF1KDM4ERET
SCHEMBL13200037 0.78 FLT3 (0.73) FLT3RAF1KMT2AALDH1A1ROCK1
SCHEMBL13200440 0.77 RAF1 (0.52) FLT3RAF1MAPTKMT2ACYP2C19
SCHEMBL13200590 0.77 FLT3 (0.62) FLT3RAF1MAPTKMT2ANPSR1
SCHEMBL13200042 0.77 FLT3 (0.62) FLT3RAF1KMT2AROCK1MEN1
SCHEMBL13200432 0.77 RAF1 (0.58) FLT3RAF1KMT2AMEN1MAPK13
SCHEMBL13200522 0.76 FLT3 (0.69) FLT3KMT2AROCK1MEN1RET

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