SCHEMBL13200027

SCHEMBL13200027

CC(C)(C)c1cc(CC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.53
F2R P25116 1/20 0.50
ACR P10323 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GRM4 Q14833 1/20 0.46
SMO Q99835 5/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 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
SCHEMBL13199940 0.85 FLT3 (0.65) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL13199938 0.84 FLT3 (0.55) FLT3SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL13200022 0.83 FLT3 (0.56) FLT3SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL13200028 0.83 FLT3 (0.51) FLT3SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL13234691 0.81 FLT3 (0.71) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL13200627 0.81 FLT3 (0.48) FLT3SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL13200197 0.81 FLT3 (0.70) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL13200080 0.80 FLT3 (0.48) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL13200035 0.80 FLT3 (0.69) FLT3SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL13200134 0.80 FLT3 (0.49) FLT3SMN1; SMN2RAB9ANPC1MEN1

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