SCHEMBL13200440

SCHEMBL13200440

COc1ccc(-c2csc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.52
KDM4E B2RXH2 4/20 0.51
FLT3 P36888 1/20 0.51
RET P07949 6/20 0.49
NTRK1 P04629 2/20 0.49
ROCK1 Q13464 1/20 0.47
MAPT P10636 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 5/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.45
CSF1R P07333 1/20 0.45
KDR P35968 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
SCHEMBL13199934 0.83 KDM4E (0.71) RAF1KDM4EFLT3RETNTRK1
SCHEMBL12066000 0.80 FLT3 (0.57) RAF1KDM4EFLT3RETCSF1R
SCHEMBL6451843 0.79 POLB (0.60) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL13234750 0.78 FLT3 (0.58) RAF1FLT3RETKMT2AMEN1
SCHEMBL13200166 0.77 FLT3 (0.55) RAF1KDM4EFLT3RETNTRK1
SCHEMBL13200719 0.76 FLT3 (0.52) FLT3RETNTRK1ROCK1POLB
SCHEMBL13200522 0.75 FLT3 (0.69) FLT3RETNTRK1ROCK1KMT2A
SCHEMBL13200037 0.74 FLT3 (0.73) RAF1FLT3RETNTRK1ROCK1
SCHEMBL13200259 0.74 LMNA (0.54) RAF1FLT3RETNTRK1ROCK1
SCHEMBL13200373 0.74 FLT3 (0.58) RAF1FLT3RETNTRK1ROCK1

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