SCHEMBL18617372

SCHEMBL18617372

CNCc1ccc(Cn2cc(Cc3cc(N)nc4[nH]nnc34)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 13/20 0.55
▸ KLKB1 P03952 7/20 0.37

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
SCHEMBL18617373 0.90 MPO (0.53) MPOKLKB1
SCHEMBL18585746 0.90 MPO (0.53) MPOKLKB1
SCHEMBL18616570 0.89 MPO (0.53) MPOKLKB1
SCHEMBL18586149 0.89 MPO (0.66) MPOKLKB1
SCHEMBL18617776 0.88 MPO (0.50) MPOKLKB1
SCHEMBL18585653 0.88 MPO (0.50) MPOKLKB1
SCHEMBL18617315 0.88 MPO (0.50) MPOKLKB1
SCHEMBL18585841 0.88 MPO (0.73) MPOKLKB1
SCHEMBL18617587 0.87 MPO (0.58) MPOKLKB1
SCHEMBL20658785 0.86 MPO (0.48) MPOKLKB1

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-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
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