SCHEMBL13200568

SCHEMBL13200568

CC(C)(C)c1cc(CC(=O)Nc2ccc(CCc3ccc(N)cc3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.53
▸ RET P07949 8/20 0.46
▸ KDR P35968 3/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HPGD P15428 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
SCHEMBL13199940 0.83 FLT3 (0.65) FLT3RAF1MEN1NPC1RAB9A
SCHEMBL13199938 0.82 FLT3 (0.55) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234393 0.81 RAF1 (0.68) FLT3KDRRAF1MEN1NPC1
SCHEMBL13199947 0.80 FLT3 (0.53) FLT3KDRRAF1MEN1NPC1
SCHEMBL9978507 0.78 FLT3 (0.62) FLT3RETRAF1NPC1RAB9A
SCHEMBL13200000 0.78 MAPT (0.53) FLT3RAF1MEN1NPC1RAB9A
SCHEMBL13200480 0.78 FLT3 (0.48) FLT3RETKDRRAF1MEN1
SCHEMBL13200599 0.77 FLT3 (0.57) FLT3RAF1MEN1NPC1RAB9A
SCHEMBL13200526 0.77 RAF1 (0.67) FLT3RAF1MEN1NPC1RAB9A
SCHEMBL13200028 0.76 FLT3 (0.51) FLT3RAF1MEN1NPC1RAB9A

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
Send feedback