SCHEMBL29922644

SCHEMBL29922644

COC(=O)c1nnc(Cl)cc1Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ IGF1R P08069 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NAMPT P43490 4/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PTK2 Q05397 2/20 0.37
▸ SYK P43405 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL28362559 1.00 HDAC1 (0.43) HDAC1ESR2PIK3CAMTORROCK2
SCHEMBL29551964 0.87 SYK (0.40) MAPTNAMPTSYKMEN1KMT2A
SCHEMBL28362552 0.83 JAK2 (0.40) HDAC1ESR2PIK3CAMTORROCK2
SCHEMBL29552783 0.83 JAK2 (0.40) HDAC1ESR2PIK3CAMTORROCK2
SCHEMBL28359226 0.82 GPR119 (0.40) HDAC1NPC1RAB9AKMT2A
SCHEMBL28362546 0.78 SYK (0.43) MAPTSYKMEN1KMT2A
SCHEMBL29922602 0.78 SYK (0.43) MAPTSYKMEN1KMT2A
SCHEMBL29551791 0.75 SYK (0.41) MAPTSYKKMT2A
SCHEMBL28362756 0.75 ABCB1 (0.45) NPC1RAB9AMAPTSYKMEN1
SCHEMBL29551921 0.75 ABCB1 (0.45) NPC1RAB9AMAPTSYKMEN1

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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