SCHEMBL13200534

SCHEMBL13200534

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.53
EGFR P00533 1/20 0.53
FLT3 P36888 1/20 0.53
ROCK1 Q13464 1/20 0.51
NTRK1 P04629 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
KLK7 P49862 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CSF1R P07333 1/20 0.46
KDR P35968 1/20 0.46
KCNH2 Q12809 1/20 0.46
CCDC6 Q16204 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
SCHEMBL13199991 0.90 GAPDH (0.58) RETEGFRFLT3ROCK1NTRK1
SCHEMBL13200476 0.90 FLT3 (0.65) RETEGFRFLT3ROCK1NTRK1
SCHEMBL13200637 0.90 FLT3 (0.54) RETEGFRFLT3ROCK1NTRK1
SCHEMBL13200540 0.89 MAPK14 (0.54) RETEGFRFLT3ROCK1NTRK1
SCHEMBL13200005 0.88 RET (0.52) RETEGFRFLT3ROCK1NTRK1
SCHEMBL13200010 0.88 RET (0.52) RETEGFRFLT3ROCK1NTRK1
SCHEMBL13199993 0.87 FLT3 (0.53) RETEGFRFLT3ROCK1NTRK1
SCHEMBL13234596 0.86 RAF1 (0.62) RETFLT3MAPTHTTATM
SCHEMBL13200015 0.86 FLT3 (0.57) RETFLT3ROCK1NTRK1KDM4E
SCHEMBL13200018 0.85 FLT3 (0.56) RETEGFRFLT3ROCK1NTRK1

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