SCHEMBL13200005

SCHEMBL13200005

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.52
FLT3 P36888 1/20 0.51
CACNA1H O95180 3/20 0.50
ROCK1 Q13464 1/20 0.49
NLRP3 Q96P20 1/20 0.49
NTRK1 P04629 1/20 0.49
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
KDM4E B2RXH2 1/20 0.48
EGFR P00533 1/20 0.48
CACNA1G O43497 2/20 0.46
CACNA1I Q9P0X4 2/20 0.46
MAPK8 P45983 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
SCHEMBL13200010 0.90 RET (0.52) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13200540 0.90 MAPK14 (0.54) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13199991 0.89 GAPDH (0.58) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13200476 0.89 FLT3 (0.65) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13200534 0.88 RET (0.53) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13234549 0.87 RAF1 (0.60) FLT3
SCHEMBL13200015 0.84 FLT3 (0.57) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13200018 0.84 FLT3 (0.56) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13200003 0.82 MRGPRX4 (0.54) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13200637 0.82 FLT3 (0.54) 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