SCHEMBL29552160

SCHEMBL29552160

CN1CCN(c2ccc(Nc3cc(Cl)nnc3C(=O)O)cc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SYK P43405 1/20 0.39
▸ PDE7A Q13946 1/20 0.38
▸ PTGS2 P35354 5/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ASAH1 Q13510 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ MAPKAPK2 P49137 2/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34

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
SCHEMBL29922678 0.90 L3MBTL1 (0.42) L3MBTL1SLC6A2SLC6A4SYKPDE7A
SCHEMBL28362527 0.90 L3MBTL1 (0.42) L3MBTL1SLC6A2SLC6A4SYKPDE7A
SCHEMBL29552335 0.85 PTGS2 (0.37) SYKPDE7APTGS2JAK2JAK1
SCHEMBL29552239 0.83 L3MBTL1 (0.47) L3MBTL1SLC6A2SLC6A4SYKPDE7A
SCHEMBL29551761 0.82 TYK2 (0.57) L3MBTL1SLC6A2SLC6A4JAK2JAK1
SCHEMBL29922584 0.77 SYK (0.35) SYKPDE7APTGS2JAK2JAK1
SCHEMBL28359081 0.77 SYK (0.35) SYKPDE7APTGS2JAK2JAK1
SCHEMBL29552398 0.76 JAK2 (0.54) MAPKAPK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29552431 0.74 SYK (0.48) SYK
SCHEMBL29552492 0.70 SYK (0.46) SYKMAPKAPK2PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 — — WO disclosed
Send feedback