SCHEMBL931676

SCHEMBL931676

NC(=O)c1cnc(-c2cccnn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
SIRT4 Q9Y6E7 1/20 0.46
NNMT P40261 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MKNK1 Q9BUB5 4/20 0.40
MKNK2 Q9HBH9 4/20 0.40
P2RX7 Q99572 1/20 0.39
HPGDS O60760 2/20 0.38
VNN1 O95497 1/20 0.38
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL3408513 0.79 HPGDS (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL1647236 0.77 MKNK1 (0.53) F7F3SARM1SIRT2SIRT6
SCHEMBL3406541 0.75 TP53 (0.46) SMN1; SMN2ATML3MBTL1POLBMAPT
SCHEMBL30686995 0.74 GRM5 (0.39) SMN1; SMN2HPGDSEGLN1L3MBTL1HSD17B10
SCHEMBL3407187 0.73 NNMT (0.48) F7F3SARM1SIRT2SIRT6
SCHEMBL3407188 0.72 NNMT (0.56) F7F3SARM1SIRT2SIRT6
SCHEMBL16005733 0.71 CCR1 (0.48) PARP1
SCHEMBL28149706 0.71 ALDH1A1 (0.49) F7F3SARM1SIRT2SIRT6
SCHEMBL30144078 0.70 MKNK1 (0.67) F7F3SARM1SIRT2SIRT6
SCHEMBL5270117 0.70 NNMT (0.43) F7F3SARM1SIRT2SIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448584-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2012-05-09 EP disclosed
WO-2011002624-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2011-01-06 WO disclosed
EP-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO disclosed