SCHEMBL18616670

SCHEMBL18616670

N=Nc1c(Cn2nnc3cccc(Cl)c32)cc(N)nc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ PRMT5 O14744 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ PTK2 Q05397 3/20 0.32
▸ MAPT P10636 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL18586099 0.75 SLC9A1 (0.38) SLC9A1LMNATDP1PRMT5TP53
SCHEMBL20658823 0.71 SLC9A1 (0.52) SLC9A1LMNATDP1TP53KMT2A
SCHEMBL20658824 0.71 SLC9A1 (0.52) SLC9A1LMNATDP1TP53KMT2A
SCHEMBL18617433 0.65 ALDH1A1 (0.55) SLC9A1LMNATDP1TP53KMT2A
SCHEMBL18617435 0.62 ADORA2A (0.38) LMNAKMT2AALDH1A1HPGDMAPT
SCHEMBL18617662 0.61 SLC9A1 (0.48) SLC9A1LMNATDP1TP53KMT2A
SCHEMBL18617442 0.60 TNF (0.37) LMNAPRMT5TP53KMT2ATNF
SCHEMBL18617398 0.58 GRM2 (0.43) SLC9A1LMNAALDH1A1TSHRGRM2
SCHEMBL20672132 0.58 GRM2 (0.43) SLC9A1LMNATP53KMT2AALDH1A1
SCHEMBL20429996 0.58 MPO (0.45) LMNATP53MAPTSMN1; SMN2

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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