SCHEMBL394103

SCHEMBL394103

O=C1Nc2cc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)ccc2C1=Cc1ccc[nH]1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.85
TLK2 Q86UE8 2/20 0.74
JAK3 P52333 1/20 0.74
AURKB Q96GD4 8/20 0.72
NTRK3 Q16288 2/20 0.70
FLT3 P36888 8/20 0.70
KIT P10721 5/20 0.70
FLT4 P35916 5/20 0.70
PDGFRB P09619 1/20 0.70
KDR P35968 4/20 0.63

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
SCHEMBL10091844 1.00 NTRK1 (0.85) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL396901 0.92 NTRK1 (1.00) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL396900 0.92 NTRK1 (1.00) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL397846 0.92 NTRK1 (0.89) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL397847 0.92 NTRK1 (0.89) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL10091847 0.92 NTRK1 (0.89) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL396854 0.88 NTRK1 (0.70) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL10091891 0.88 NTRK1 (0.70) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL398830 0.86 TLK2 (0.89) NTRK1TLK2JAK3AURKBNTRK3
SCHEMBL398831 0.86 TLK2 (0.89) NTRK1TLK2JAK3AURKBNTRK3

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