SCHEMBL13200522

SCHEMBL13200522

CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.69
ROCK1 Q13464 1/20 0.69
RET P07949 7/20 0.66
EGFR P00533 2/20 0.58
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
NTRK1 P04629 2/20 0.55
CSF1R P07333 1/20 0.55
KDR P35968 1/20 0.55
KCNH2 Q12809 1/20 0.55
CCDC6 Q16204 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
WNT3A P56704 1/20 0.53
RIOK2 Q9BVS4 1/20 0.53

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
SCHEMBL13200555 0.90 FLT3 (0.73) FLT3ROCK1RETEGFRKMT2A
SCHEMBL13234708 0.90 FLT3 (0.88) FLT3ROCK1RETKMT2AMEN1
SCHEMBL13199933 0.86 GAPDH (0.71) FLT3ROCK1RETEGFRRAB9A
SCHEMBL13200780 0.86 FLT3 (0.63) FLT3ROCK1RETEGFRKMT2A
SCHEMBL13200037 0.85 FLT3 (0.73) FLT3ROCK1RETKMT2AMEN1
SCHEMBL13200580 0.85 FLT3 (0.72) FLT3ROCK1RETEGFRKMT2A
SCHEMBL1256784 0.85 RET (0.63) FLT3ROCK1RETEGFRNTRK1
SCHEMBL1256800 0.85 FLT3 (0.62) FLT3ROCK1RETEGFRRAB9A
SCHEMBL9978507 0.85 FLT3 (0.62) FLT3ROCK1RETEGFRRAB9A
SCHEMBL13200476 0.84 FLT3 (0.65) FLT3ROCK1RETEGFRKMT2A

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