SCHEMBL29487177

SCHEMBL29487177

Cc1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.48
PRKCI P41743 1/20 0.48
DAO P14920 1/20 0.46
IKBKB O14920 7/20 0.46
CHUK O15111 7/20 0.46
CCNK O75909 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
CDC7 O00311 1/20 0.43
PIM1 P11309 1/20 0.43
CDK9 P50750 1/20 0.43
PIK3C3 Q8NEB9 2/20 0.41
AURKB Q96GD4 2/20 0.40
ROCK1 Q13464 1/20 0.40
AURKA O14965 1/20 0.40
AURKAIP1 Q9NWT8 1/20 0.39
MAP3K5 Q99683 1/20 0.38
KIT P10721 1/20 0.38
CIT O14578 1/20 0.37
TRPA1 O75762 1/20 0.37
PTK6 Q13882 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
SCHEMBL1154194 1.00 AXL (0.48) AXLPRKCIDAOIKBKBCHUK
SCHEMBL31420487 0.80 IKBKB (0.45) AXLPRKCIDAOIKBKBCHUK
SCHEMBL3413744 0.80 IKBKB (0.45) AXLPRKCIDAOIKBKBCHUK
SCHEMBL855607 0.80 IKBKB (0.48) IKBKBCHUKCCNKCDK12CDK9
SCHEMBL2044471 0.77 AXL (0.48) AXLPRKCIDAOCDC7PIM1
SCHEMBL31240640 0.77 AXL (0.48) AXLPRKCIDAOCDC7PIM1
SCHEMBL1683422 0.77 SNCA (0.48) IKBKBCHUKCCNKCDK12PIK3C3
SCHEMBL4811265 0.77 IKBKB (0.46) IKBKBCHUKCCNKCDK12PIK3C3
SCHEMBL31119539 0.77 IKBKB (0.47) IKBKBCHUKCCNKCDK12PIK3C3
SCHEMBL598894 0.77 PRKCI (0.48) PRKCIDAOIKBKBCHUKCCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed
CN-116589461-A Azaindolylpyridone compounds and diazaindolylpyridone compounds 思普瑞特生物科学公司 2023-08-15 CN disclosed
EP-4214199-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
CN-111247144-B Azaindolylpyridone compounds and diazaindolylpyridone compounds 思普瑞特生物科学公司 2023-04-28 CN disclosed
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 CN disclosed
CN-114206883-A Oxopyridine fused ring derivative and pharmaceutical composition comprising the same 伟迈可生物有限公司 2022-03-18 CN disclosed