SCHEMBL396245

SCHEMBL396245

CN1CCN(Cc2ccc(C(=O)Nc3cccc(NC(=O)c4ccc5c(c4)NC(=O)C5=Cc4ccc[nH]4)c3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.64
NTRK3 Q16288 3/20 0.64
NTRK2 Q16620 3/20 0.61
RET P07949 1/20 0.58
BTK Q06187 1/20 0.56
JAK3 P52333 1/20 0.55
TLK2 Q86UE8 1/20 0.55
AURKB Q96GD4 7/20 0.54
FLT3 P36888 4/20 0.54
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.51
FLT4 P35916 1/20 0.51

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
SCHEMBL10091876 1.00 NTRK1 (0.64) NTRK1NTRK3NTRK2RETBTK
SCHEMBL395646 0.95 NTRK1 (0.72) NTRK1NTRK3NTRK2RETJAK3
SCHEMBL395645 0.95 NTRK1 (0.72) NTRK1NTRK3NTRK2RETJAK3
SCHEMBL396416 0.95 NTRK1 (0.65) NTRK1NTRK3NTRK2RETAURKB
SCHEMBL396415 0.95 NTRK1 (0.65) NTRK1NTRK3NTRK2RETAURKB
SCHEMBL393101 0.94 NTRK1 (0.64) NTRK1NTRK3NTRK2RETJAK3
SCHEMBL393100 0.94 NTRK1 (0.64) NTRK1NTRK3NTRK2RETJAK3
SCHEMBL394159 0.91 RET (0.60) NTRK1NTRK3NTRK2RETJAK3
SCHEMBL10091893 0.91 RET (0.60) NTRK1NTRK3NTRK2RETJAK3
SCHEMBL397412 0.91 RET (0.65) NTRK1NTRK3NTRK2RETBTK

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