SCHEMBL13200145

SCHEMBL13200145

CC(C)(C)c1cc(NC(=O)Cc2ccc(OCCCc3ccncc3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.53
RET P07949 9/20 0.53
MAPK13 O15264 1/20 0.52
MAPK14 Q16539 1/20 0.52
RIPK2 O43353 1/20 0.51
FLT3 P36888 2/20 0.50
ROCK1 Q13464 1/20 0.48
NTRK1 P04629 2/20 0.48
KDM4E B2RXH2 1/20 0.47
EGFR P00533 1/20 0.47
CSF1R P07333 1/20 0.44
KDR P35968 1/20 0.44
KCNH2 Q12809 1/20 0.44
CCDC6 Q16204 1/20 0.44

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
SCHEMBL2949523 0.86 RAF1 (0.70) RAF1RETMAPK13MAPK14RIPK2
SCHEMBL13200112 0.86 ALDH1A1 (0.54) RETMAPK14FLT3ROCK1NTRK1
SCHEMBL13239632 0.85 RAF1 (0.69) RAF1RETMAPK13MAPK14RIPK2
SCHEMBL13200123 0.82 FLT3 (0.53) RAF1RETMAPK13MAPK14FLT3
SCHEMBL13200111 0.82 FLT3 (0.58) RAF1MAPK13MAPK14RIPK2FLT3
SCHEMBL13200081 0.81 TBXAS1 (0.57) RETFLT3
SCHEMBL13234580 0.81 RAF1 (0.72) RAF1RETMAPK13MAPK14RIPK2
SCHEMBL13199934 0.81 KDM4E (0.71) RAF1RETFLT3ROCK1NTRK1
SCHEMBL13200476 0.79 FLT3 (0.65) RAF1RETMAPK13MAPK14FLT3
SCHEMBL13199991 0.79 GAPDH (0.58) RETFLT3ROCK1NTRK1KDM4E

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