SCHEMBL13200480

SCHEMBL13200480

CC(C)(C)c1cc(CC(=O)Nc2ccc(Nc3cc(N)nc(N)n3)cc2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.48
▸ RET P07949 6/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDR P35968 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ DNMT3L Q9UJW3 1/20 0.42
▸ DNMT3A Q9Y6K1 1/20 0.42
▸ NTRK1 P04629 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ RAF1 P04049 1/20 0.40

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
SCHEMBL13234883 0.83 MAPK14 (0.62) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13199940 0.79 FLT3 (0.65) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13199938 0.78 FLT3 (0.55) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200568 0.78 FLT3 (0.53) FLT3RETMEN1NPC1RAB9A
SCHEMBL13200317 0.77 RET (0.58) FLT3RETKDRNTRK1EGFR
SCHEMBL13199947 0.76 FLT3 (0.53) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200000 0.74 MAPT (0.53) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234900 0.74 MAPK14 (0.61) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200599 0.73 FLT3 (0.57) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200526 0.73 RAF1 (0.67) FLT3MEN1NPC1RAB9AKMT2A

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
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