SCHEMBL18620093

SCHEMBL18620093

Nc1cc(Cc2cccc(F)c2F)c2c(n1)NNN2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 16/20 0.56
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ TPO P07202 1/20 0.33
▸ EPX P11678 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CXCR2 P25025 1/20 0.32

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
SCHEMBL18621231 0.87 MPO (0.58) MPO
SCHEMBL18620046 0.82 MPO (0.47) MPOCXCR2
SCHEMBL18618928 0.80 MPO (0.55) MPOCHRM4
SCHEMBL18618929 0.80 MPO (0.55) MPO
SCHEMBL18620321 0.78 MPO (0.56) MPOTPOEPX
SCHEMBL18621233 0.78 MPO (0.54) MPOADORA2AADORA1
SCHEMBL18618877 0.77 MPO (0.55) MPO
SCHEMBL18620324 0.76 MPO (0.53) MPOTPOEPX
SCHEMBL18618819 0.76 MPO (0.51) MPOTPOEPX
SCHEMBL18620054 0.74 MPO (0.60) MPOADORA2AADORA1

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-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
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