SCHEMBL13200540

SCHEMBL13200540

CC(C)(C)c1cc(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.54
RET P07949 8/20 0.53
FLT3 P36888 1/20 0.53
ROCK1 Q13464 1/20 0.51
NTRK1 P04629 2/20 0.50
EGFR P00533 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSF1R P07333 1/20 0.46
KDR P35968 1/20 0.46
KCNH2 Q12809 1/20 0.46
CCDC6 Q16204 1/20 0.46
CSNK1D P48730 1/20 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
SCHEMBL13200112 0.91 ALDH1A1 (0.54) MAPK14RETFLT3ROCK1NTRK1
SCHEMBL13199991 0.90 GAPDH (0.58) RETFLT3ROCK1NTRK1EGFR
SCHEMBL13200476 0.90 FLT3 (0.65) MAPK14RETFLT3ROCK1NTRK1
SCHEMBL13200010 0.90 RET (0.52) RETFLT3ROCK1NTRK1EGFR
SCHEMBL13200005 0.90 RET (0.52) RETFLT3ROCK1NTRK1EGFR
SCHEMBL13200534 0.89 RET (0.53) RETFLT3ROCK1NTRK1EGFR
SCHEMBL13199997 0.87 CNR1 (0.53) MAPK14RETFLT3ROCK1NTRK1
SCHEMBL13234597 0.86 MAPK14 (0.75) MAPK14FLT3NPC1RAB9AKDR
SCHEMBL13200015 0.86 FLT3 (0.57) MAPK14RETFLT3ROCK1NTRK1
SCHEMBL13200620 0.86 FLT3 (0.54) MAPK14RETFLT3ROCK1NTRK1

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