SCHEMBL13199991

SCHEMBL13199991

Cc1ccc(COc2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.58
RET P07949 8/20 0.54
KDM4E B2RXH2 1/20 0.54
FLT3 P36888 1/20 0.53
ROCK1 Q13464 1/20 0.52
EGFR P00533 1/20 0.51
NTRK1 P04629 2/20 0.51
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK10 P53779 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CSF1R P07333 1/20 0.47
KDR P35968 1/20 0.47
KCNH2 Q12809 1/20 0.47
CCDC6 Q16204 1/20 0.47

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
SCHEMBL13200476 0.91 FLT3 (0.65) RETKDM4EFLT3ROCK1EGFR
SCHEMBL13200540 0.90 MAPK14 (0.54) RETKDM4EFLT3ROCK1EGFR
SCHEMBL13200534 0.90 RET (0.53) RETKDM4EFLT3ROCK1EGFR
SCHEMBL13199933 0.90 GAPDH (0.71) GAPDHRETKDM4EFLT3ROCK1
SCHEMBL13200010 0.89 RET (0.52) RETKDM4EFLT3ROCK1EGFR
SCHEMBL13200005 0.89 RET (0.52) RETKDM4EFLT3ROCK1EGFR
SCHEMBL13200015 0.87 FLT3 (0.57) RETKDM4EFLT3ROCK1NTRK1
SCHEMBL13200018 0.86 FLT3 (0.56) RETKDM4EFLT3ROCK1EGFR
SCHEMBL13234569 0.86 RAF1 (0.63) FLT3CSF1RKDR
SCHEMBL13200637 0.85 FLT3 (0.54) RETKDM4EFLT3ROCK1EGFR

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