SCHEMBL396854

SCHEMBL396854

Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.70
JAK3 P52333 1/20 0.69
TLK2 Q86UE8 1/20 0.69
AURKB Q96GD4 9/20 0.67
FLT3 P36888 8/20 0.62
KIT P10721 5/20 0.62
FLT4 P35916 4/20 0.62
PDGFRB P09619 2/20 0.62
KDR P35968 3/20 0.60
NTRK3 Q16288 3/20 0.59
JAK2 O60674 1/20 0.57
ABL1 P00519 1/20 0.57
INSR P06213 1/20 0.57
CSF1R P07333 1/20 0.57
LYN P07948 1/20 0.57
RET P07949 1/20 0.57
IGF1R P08069 1/20 0.57
MET P08581 1/20 0.57
ROS1 P08922 1/20 0.57
FGR P09769 1/20 0.57

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
SCHEMBL10091891 1.00 NTRK1 (0.70) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL397698 0.92 AURKB (0.74) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL397699 0.92 AURKB (0.74) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL398070 0.91 NTRK1 (0.79) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL398071 0.91 NTRK1 (0.79) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL394103 0.88 NTRK1 (0.85) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL10091844 0.88 NTRK1 (0.85) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL10091847 0.88 NTRK1 (0.89) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL397846 0.88 NTRK1 (0.89) NTRK1JAK3TLK2AURKBFLT3
SCHEMBL397847 0.88 NTRK1 (0.89) NTRK1JAK3TLK2AURKBFLT3

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