SCHEMBL395025

SCHEMBL395025

Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3c(C)c(C(=O)O)c(C)n3C(C(N)=O)N3CCOCC3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.38
▸ AURKB Q96GD4 5/20 0.38
▸ KDR P35968 5/20 0.38
▸ FLT4 P35916 4/20 0.38
▸ KIT P10721 3/20 0.38
▸ NTRK1 P04629 3/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL396169 0.92 NTRK1 (0.44) NTRK1NTRK3
SCHEMBL396735 0.86 NTRK1 (0.37) FLT3AURKBKDRFLT4KIT
SCHEMBL395533 0.81 FLT3 (0.48) FLT3AURKBKDRFLT4KIT
SCHEMBL396423 0.80 FLT3 (0.51) FLT3AURKBKDRFLT4KIT
SCHEMBL396893 0.80 FLT3 (0.47) FLT3AURKBKDRFLT4KIT
SCHEMBL398246 0.80 NTRK1 (0.53) FLT3AURKBKDRFLT4KIT
SCHEMBL394537 0.79 NTRK1 (0.52) FLT3AURKBKDRFLT4KIT
SCHEMBL399113 0.78 NTRK1 (0.51) FLT3AURKBKDRFLT4KIT
SCHEMBL393968 0.78 NTRK1 (0.44) FLT3AURKBKDRFLT4KIT
SCHEMBL394096 0.77 NTRK1 (0.56) FLT3KDRFLT4KITNTRK1

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-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US disclosed
Send feedback