SCHEMBL394159

SCHEMBL394159

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1NC(=O)c1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.60
NTRK1 P04629 8/20 0.57
NTRK3 Q16288 2/20 0.57
AURKB Q96GD4 9/20 0.54
NTRK2 Q16620 3/20 0.53
JAK3 P52333 1/20 0.53
TLK2 Q86UE8 1/20 0.53
FLT3 P36888 5/20 0.52
KIT P10721 2/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
JAK2 O60674 1/20 0.49
ABL1 P00519 1/20 0.49
INSR P06213 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
ROS1 P08922 1/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL10091893 1.00 RET (0.60) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL396265 0.94 RET (0.58) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL396264 0.94 RET (0.58) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL395558 0.94 NTRK1 (0.64) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL395559 0.94 NTRK1 (0.64) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL393101 0.92 NTRK1 (0.64) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL393100 0.92 NTRK1 (0.64) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL396245 0.91 NTRK1 (0.64) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL10091876 0.91 NTRK1 (0.64) RETNTRK1NTRK3AURKBNTRK2
SCHEMBL397000 0.90 RET (0.66) RETNTRK1NTRK3AURKBNTRK2

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