SCHEMBL1399532

SCHEMBL1399532

NN(Cc1cccnc1)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 3/20 0.51
GRM2 Q14416 3/20 0.50
VNN1 O95497 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLOD2 O00469 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46

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
Hydrochloric Acid SCHEMBL11508162 0.90 GAA (0.66) GAATSHRKMT2AVNN1NAPRT
SCHEMBL10400431 0.84 NAPRT (0.56) GAATSHRKMT2ANAPRTLMNA
SCHEMBL28152910 0.84 HSD11B1 (0.53) TSHRKMT2ALMNATDP1ALDH1A1
SCHEMBL27781493 0.82 LMNA (0.63) GAATSHRKMT2AGRM2LMNA
SCHEMBL6987105 0.82 GAA (0.56) GAATSHRKMT2AGRM2VNN1
SCHEMBL22289330 0.81 RECQL (0.54) KMT2ANAPRTLMNACHRNB2CHRNA4
SCHEMBL6987044 0.78 GAA (0.52) GAATSHRKMT2AGRM2VNN1
SCHEMBL6986062 0.77 GAA (0.51) GAATSHRKMT2AGRM2VNN1
SCHEMBL29224860 0.77 HDAC1 (0.54) GAATSHRKMT2AGRM2ALDH1A1
SCHEMBL16923895 0.77 TRPM8 (0.60) GAATSHRKMT2AGRM2NAPRT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP disclosed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO disclosed