SCHEMBL3408513

SCHEMBL3408513

NC(=O)c1cnc(-c2ccccn2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.55
P4HTM Q9NXG6 2/20 0.51
CHEK2 O96017 2/20 0.51
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
GRM5 P41594 1/20 0.49
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
SARM1 Q6SZW1 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
SIRT4 Q9Y6E7 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
BLM P54132 2/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL945366 0.84 P4HTM (0.68) HPGDSP4HTMCHEK2KDM4ETDP1
SCHEMBL1671397 0.83 KDM4E (0.61) HPGDSP4HTMKDM4ETDP1TP53
Dipyridyl SCHEMBL15380517 0.82 TDP1 (0.67) P4HTMCHEK2KDM4ETDP1TP53
Hydrochloric Acid SCHEMBL28173955 0.82 P4HTM (0.66) HPGDSP4HTMCHEK2KDM4ETDP1
SCHEMBL11891928 0.81 HPGDS (0.55) HPGDSP4HTMKDM4ETDP1TP53
Hydrochloric Acid SCHEMBL3216270 0.81 HPGDS (0.59) HPGDSP4HTMKDM4ETDP1TP53
SCHEMBL3220170 0.81 HPGDS (0.55) HPGDSP4HTMKDM4ETDP1TP53
Hydrochloric Acid SCHEMBL11027155 0.80 HPGDS (0.54) HPGDSP4HTMKDM4ETDP1TP53
SCHEMBL3407187 0.80 NNMT (0.48) HPGDSKDM4ETDP1GRM5F7
Dipyridyl SCHEMBL28724644 0.79 KDM4E (0.56) P4HTMCHEK2KDM4ETDP1TP53

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
CN-116997548-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2023-11-03 CN 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