SCHEMBL13200082

SCHEMBL13200082

CC(C)(C)c1cc(NC(=O)Cc2ccc(OCCN3CCOCC3)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.61
RET P07949 13/20 0.61
KDR P35968 4/20 0.61
CSF1R P07333 2/20 0.61
PDGFRB P09619 2/20 0.61
KIT P10721 2/20 0.61
DDR1 Q08345 2/20 0.61
FLT3 P36888 6/20 0.59
AURKA O14965 2/20 0.58
LCK P06239 1/20 0.55
PDGFRA P16234 1/20 0.55
CDK11B P21127 1/20 0.55
CCNC P24863 1/20 0.55
FLT4 P35916 1/20 0.55
CDK8 P49336 1/20 0.55
BTK Q06187 1/20 0.55
DDR2 Q16832 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
EPHX2 P34913 1/20 0.54

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
SCHEMBL13200059 0.90 RET (0.52) RETKDRCSF1RPDGFRBKIT
SCHEMBL9978891 0.87 FLT3 (0.55) EGFRRETKDRCSF1RPDGFRB
SCHEMBL13234602 0.86 RET (0.79) RETKDRCSF1RPDGFRBKIT
SCHEMBL13200076 0.85 RET (0.49) EGFRRETKDRCSF1RPDGFRB
SCHEMBL13200475 0.84 FLT3 (0.56) RETKDRCSF1RPDGFRBKIT
SCHEMBL17443422 0.82 RET (0.73) RETKDRCSF1RPDGFRBKIT
SCHEMBL1256284 0.81 EGFR (0.56) EGFRRETKDRCSF1RPDGFRB
SCHEMBL1256158 0.81 EGFR (0.56) EGFRRETKDRCSF1RPDGFRB
SCHEMBL1600174 0.81 MAPK14 (0.61) EGFRRETKDRCSF1RPDGFRB
SCHEMBL17447646 0.81 RET (0.62) RETKDRCSF1RPDGFRBKIT

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