SCHEMBL13200076

SCHEMBL13200076

CC1CN(CCOc2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
FLT3 P36888 3/20 0.46
NTRK1 P04629 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDR P35968 4/20 0.46
CSF1R P07333 2/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
DDR1 Q08345 1/20 0.46
ROCK1 Q13464 1/20 0.45
KCNH2 Q12809 1/20 0.45
CCDC6 Q16204 1/20 0.45
AURKA O14965 1/20 0.45
ALK Q9UM73 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
SCHEMBL13234604 0.86 RET (0.60) RETFLT3KDRCSF1RPDGFRB
SCHEMBL13200082 0.85 EGFR (0.61) RETFLT3KDRCSF1RPDGFRB
SCHEMBL13200059 0.84 RET (0.52) RETCCNA2CDK2CCNA1FLT3
SCHEMBL13200102 0.79 RET (0.57) RETFLT3NTRK1KDM4EKDR
SCHEMBL13200081 0.79 TBXAS1 (0.57) RETFLT3
SCHEMBL13200562 0.79 RET (0.53) RETFLT3NTRK1KDM4EKDR
SCHEMBL13200112 0.78 ALDH1A1 (0.54) RETFLT3NTRK1KDM4EALDH1A1
SCHEMBL13200595 0.77 RET (0.52) RETFLT3NTRK1KDM4EROCK1
SCHEMBL13199934 0.77 KDM4E (0.71) RETKMT2AFLT3NTRK1KDM4E
SCHEMBL13200145 0.76 RAF1 (0.53) RETFLT3NTRK1KDM4EKDR

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