SCHEMBL29915944

SCHEMBL29915944

NC(=O)c1ccc(-c2cccnc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.68
MKNK2 Q9HBH9 7/20 0.68
F7 P08709 1/20 0.62
F3 P13726 1/20 0.62
SARM1 Q6SZW1 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.62
SIRT6 Q8N6T7 1/20 0.62
SIRT1 Q96EB6 1/20 0.62
SIRT3 Q9NTG7 1/20 0.62
SIRT5 Q9NXA8 1/20 0.62
SIRT4 Q9Y6E7 1/20 0.62
HPGDS O60760 1/20 0.61
FYN P06241 1/20 0.56
CYP2A6 P11509 2/20 0.56
CYP3A4 P08684 1/20 0.56
CHEK2 O96017 1/20 0.55
LDHA P00338 1/20 0.53
PIM1 P11309 2/20 0.52
ATR Q13535 1/20 0.51
HDAC2 Q92769 1/20 0.50

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
SCHEMBL22578364 1.00 MKNK1 (0.68) MKNK1MKNK2F7F3SARM1
SCHEMBL30201337 0.85 LDHA (0.74) MKNK1MKNK2CYP2A6CYP3A4LDHA
SCHEMBL3203644 0.85 LDHA (0.74) MKNK1MKNK2CYP2A6CYP3A4LDHA
SCHEMBL29586559 0.84 LDHA (0.73) MKNK1MKNK2HPGDSFYNCHEK2
SCHEMBL1246554 0.84 LDHA (0.73) MKNK1MKNK2HPGDSFYNCHEK2
SCHEMBL14355076 0.83 HPGDS (0.56) F7F3SARM1SIRT2SIRT6
SCHEMBL30144078 0.83 MKNK1 (0.67) MKNK1MKNK2F7F3SARM1
Hydrochloric Acid SCHEMBL5010814 0.83 LDHA (0.71) MKNK1MKNK2HPGDSFYNCHEK2
SCHEMBL1758258 0.81 LDHA (0.69) MKNK1MKNK2HPGDSFYNCHEK2
SCHEMBL606654 0.81 MKNK1 (1.00) MKNK1MKNK2F7F3SARM1

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-3798214-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2022-09-14 EP claimed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed