SCHEMBL396735

SCHEMBL396735

Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3cc(C(=O)O)cn3C(C(N)=O)N3CCOCC3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ KDR P35968 3/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ 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
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 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
SCHEMBL395025 0.86 FLT3 (0.38) NTRK1NTRK3KDRFGFR1CYP1A2
SCHEMBL398657 0.85 NTRK1 (0.37) NTRK1NTRK3KDRFGFR1CYP1A2
SCHEMBL396457 0.83 KDR (0.38) NTRK1NTRK3KDRFGFR1CYP1A2
SCHEMBL396169 0.78 NTRK1 (0.44) NTRK1NTRK3NTRK2RAF1BRAF
SCHEMBL398702 0.75 KDR (0.53) NTRK1NTRK3KDRFGFR1CYP1A2
SCHEMBL398703 0.75 KDR (0.53) NTRK1NTRK3KDRFGFR1CYP1A2
SCHEMBL396427 0.74 NTRK1 (0.46) NTRK1NTRK3KDRFGFR1FLT1
SCHEMBL396734 0.74 AKT2 (0.60) NTRK1NTRK3KDRFGFR1CYP2C9
SCHEMBL10091935 0.74 AKT2 (0.60) NTRK1NTRK3KDRFGFR1CYP2C9
SCHEMBL395024 0.73 KDR (0.61) NTRK1NTRK3KDRFGFR1FLT1

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
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