SCHEMBL13200061

SCHEMBL13200061

CC(C)(C)c1cc(NC(=O)Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.61
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.54
RET P07949 3/20 0.53
EGFR P00533 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
NTRK1 P04629 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAF1 P04049 2/20 0.51

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
SCHEMBL13200615 0.90 FLT3 (0.62) FLT3RETNTRK1RAF1
SCHEMBL13200041 0.90 FLT3 (0.62) FLT3RETEGFRNTRK1RAF1
SCHEMBL13200580 0.89 FLT3 (0.72) FLT3MEN1KMT2ARETEGFR
SCHEMBL13200037 0.89 FLT3 (0.73) FLT3ALDH1A1MEN1KMT2APOLB
SCHEMBL13200131 0.88 FLT3 (0.60) FLT3RETEGFRNTRK1RAF1
SCHEMBL13234840 0.85 FLT3 (0.80) FLT3MEN1KMT2ARETNPC1
SCHEMBL13234696 0.85 FLT3 (0.80) FLT3MEN1KMT2ARETNPC1
SCHEMBL13200045 0.85 TRPV1 (0.56) FLT3RETNTRK1RAF1
SCHEMBL13200022 0.85 FLT3 (0.56) FLT3ALDH1A1MEN1KMT2APOLB
SCHEMBL13200558 0.84 RAF1 (0.59) FLT3RETEGFRNTRK1NPC1

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