SCHEMBL18617402

SCHEMBL18617402

Nc1cc(CN(N)c2cccc(Cl)c2N)c(N)c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NR4A2 P43354 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ SRC P12931 1/20 0.30

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
SCHEMBL18617396 0.81 — —
SCHEMBL18616572 0.78 KMT2A (0.41) MPOMEN1KMT2ANR4A2
SCHEMBL18617663 0.78 SMN1; SMN2 (0.33) MPOMEN1KMT2ANR4A2
SCHEMBL18616509 0.70 MPO (0.39) MPONPC1RAB9A
SCHEMBL18617434 0.69 MPO (0.40) MPONPC1RAB9A
SCHEMBL18617442 0.65 TNF (0.37) MPOMEN1KMT2ANR4A2MAPT
SCHEMBL18616504 0.62 MPO (0.33) MPOMEN1KMT2A
SCHEMBL17595014 0.61 ALDH1A1 (0.43) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL18620550 0.60 NOS2 (0.42) MAPT
SCHEMBL3793479 0.60 GAA (0.43) KMT2ANR4A2NPC1MAPTRAB9A

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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