SCHEMBL13200059

SCHEMBL13200059

CC(C)(C)c1cc(NC(=O)Cc2ccc(OCCN3CCSCC3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.52
KDR P35968 4/20 0.52
CSF1R P07333 2/20 0.52
PDGFRB P09619 2/20 0.52
KIT P10721 2/20 0.52
DDR1 Q08345 2/20 0.52
FLT3 P36888 9/20 0.51
AURKA O14965 2/20 0.51
ALK Q9UM73 1/20 0.51
NTRK1 P04629 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
LCK P06239 1/20 0.48
PDGFRA P16234 1/20 0.48
CDK11B P21127 1/20 0.48
CCNC P24863 1/20 0.48
FLT4 P35916 1/20 0.48
CDK8 P49336 1/20 0.48
BTK Q06187 1/20 0.48

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
SCHEMBL13200082 0.90 EGFR (0.61) RETKDRCSF1RPDGFRBKIT
SCHEMBL13234614 0.87 RET (0.66) RETKDRCSF1RPDGFRBKIT
SCHEMBL13200076 0.84 RET (0.49) RETKDRCSF1RPDGFRBKIT
SCHEMBL13200081 0.80 TBXAS1 (0.57) RETFLT3
SCHEMBL13200102 0.80 RET (0.57) RETKDRCSF1RFLT3NTRK1
SCHEMBL13200112 0.79 ALDH1A1 (0.54) RETKDRCSF1RFLT3NTRK1
SCHEMBL13234610 0.78 FLT3 (0.72) RETKDRCSF1RPDGFRBKIT
SCHEMBL9978891 0.78 FLT3 (0.55) RETKDRCSF1RPDGFRBKIT
SCHEMBL13199934 0.78 KDM4E (0.71) RETFLT3NTRK1
SCHEMBL13200562 0.77 RET (0.53) RETKDRCSF1RFLT3NTRK1

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