SCHEMBL20119571

SCHEMBL20119571

N#Cc1c(N)nn2ccc(N3CC(OC(=O)c4ccc([N+](=O)[O-])cc4)CC3c3cc(F)ccc3F)nc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.43
▸ JAK2 O60674 6/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 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
SCHEMBL21313045 1.00 NTRK1 (0.43) NTRK1JAK2PTPN2PTPN1SMN1; SMN2
SCHEMBL21313079 1.00 NTRK1 (0.43) NTRK1JAK2PTPN2PTPN1SMN1; SMN2
SCHEMBL21313087 0.89 NTRK1 (0.41) NTRK1JAK2PTPN2PTPN1SMN1; SMN2
SCHEMBL20119516 0.89 NTRK1 (0.41) NTRK1JAK2PTPN2PTPN1SMN1; SMN2
SCHEMBL21313088 0.89 NTRK1 (0.41) NTRK1JAK2PTPN2PTPN1SMN1; SMN2
SCHEMBL21570737 0.87 PTPN2 (0.37) NTRK1PTPN2PTPN1SMN1; SMN2POLB
SCHEMBL21570757 0.87 PTPN2 (0.37) NTRK1PTPN2PTPN1SMN1; SMN2POLB
SCHEMBL21313065 0.86 NTRK1 (0.37) NTRK1JAK2POLB
SCHEMBL20119338 0.86 NTRK1 (0.37) NTRK1JAK2POLB
SCHEMBL20119123 0.79 NTRK1 (0.54) NTRK1JAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018077246-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR 正大天晴药业集团股份有限公司 2018-05-03 — — WO disclosed
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