SCHEMBL29922678

SCHEMBL29922678

COC(=O)c1nnc(Cl)cc1Nc1ccc(N2CCN(C)CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SYK P43405 1/20 0.38
▸ PDE7A Q13946 1/20 0.37
▸ ACVR1 Q04771 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28362527 1.00 L3MBTL1 (0.42) L3MBTL1SLC6A2SLC6A4SYKPDE7A
SCHEMBL29552160 0.90 L3MBTL1 (0.46) L3MBTL1SLC6A2SLC6A4SYKPDE7A
SCHEMBL28359081 0.87 SYK (0.35) SYKPDE7APTGS2ATMKMT2A
SCHEMBL29922584 0.87 SYK (0.35) SYKPDE7APTGS2ATMKMT2A
SCHEMBL29922837 0.83 TYK2 (0.56) L3MBTL1SLC6A2SLC6A4
SCHEMBL28359224 0.83 TYK2 (0.56) L3MBTL1SLC6A2SLC6A4
SCHEMBL29922581 0.78 JAK2 (0.52) L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL28359240 0.78 JAK2 (0.52) L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL15091096 0.75 SYK (0.56) L3MBTL1SYKGFERKMT2AMAPT
SCHEMBL29922724 0.75 SYK (0.46) L3MBTL1SYKKMT2AMAPTSMN1; SMN2

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
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
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