SCHEMBL18617442

SCHEMBL18617442

Nc1cc(Cn2nc3cccc(Cl)c3n2)c(N)c(N)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ MPO P05164 6/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ NUDT1 P36639 1/20 0.31
▸ DCPS Q96C86 1/20 0.31

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
SCHEMBL18617437 0.85 TNF (0.37) TNFNOD2NOD1MPOTP53
SCHEMBL18617605 0.78 PIK3CG (0.36) MPOMAPTLMNANUDT1
SCHEMBL18585766 0.78 MPO (0.33) TNFNOD2NOD1MPO
SCHEMBL18617433 0.65 ALDH1A1 (0.55) TP53MAPTKMT2ALMNA
SCHEMBL18617402 0.65 MPO (0.33) MPOMAPTKMT2AMEN1NR4A2
SCHEMBL18617601 0.64 MAPT (0.33) TNFNOD2NOD1MPOMAPT
SCHEMBL102270 0.64 PSMB8 (0.36) MAPTPRMT5ADORA1LMNA
SCHEMBL203092 0.61 PSMB8 (0.37) PRMT5
SCHEMBL18617398 0.61 GRM2 (0.43) LMNA
SCHEMBL25232905 0.61 PSMB8 (0.36) MAPTKMT2AGAAPRMT5MEN1

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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