SCHEMBL29594571

SCHEMBL29594571

NC(=O)c1ncccc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.56
▸ MKNK2 Q9HBH9 10/20 0.56
▸ IKBKB O14920 1/20 0.54
▸ CHEK2 O96017 1/20 0.52
▸ F7 P08709 1/20 0.50
▸ F3 P13726 1/20 0.50
▸ SARM1 Q6SZW1 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ SIRT6 Q8N6T7 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ SIRT4 Q9Y6E7 1/20 0.50
▸ CYP2A6 P11509 3/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ATR Q13535 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL2572631 1.00 MKNK1 (0.56) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL30165669 1.00 MKNK1 (0.56) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL944036 0.88 MKNK1 (0.47) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL231896 0.86 MKNK1 (0.56) MKNK1MKNK2IKBKBCHEK2CYP3A4
SCHEMBL30292682 0.84 MKNK1 (0.54) MKNK1MKNK2IKBKBCHEK2
SCHEMBL12469057 0.84 MKNK1 (0.54) MKNK1MKNK2IKBKBCHEK2
SCHEMBL4560363 0.83 MKNK1 (0.50) MKNK1MKNK2IKBKBF7F3
SCHEMBL944217 0.82 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL945200 0.82 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL2228105 0.81 MKNK1 (0.54) MKNK1MKNK2IKBKBCHEK2F7

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
WO-2025151311-A1 NICOTINAMIDE DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-07-17 — — WO disclosed
CN-115109048-B (hetero) aryl amide compound 中国药科大学 2023-12-08 — — CN disclosed
EP-4225310-A1 HETEROARYL AMIDE INHIBITORS OF CD38 Napa Therapeutics Ltd. (VG) 2023-08-16 — — EP disclosed
WO-2022077034-A1 HETEROARYL AMIDE INHIBITORS OF CD38 NAPA THERAPEUTICS LTD. (VG) 2022-04-14 — — WO disclosed
Send feedback