SCHEMBL29922784

SCHEMBL29922784

COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.45
▸ TYK2 P29597 8/20 0.40
▸ JAK2 O60674 6/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ RORC P51449 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL28362738 1.00 DHODH (0.45) DHODHTYK2JAK2JAK1JAK3
SCHEMBL29552340 1.00 DHODH (0.45) DHODHTYK2JAK2JAK1JAK3
SCHEMBL29552123 0.90 DHODH (0.52) DHODHTYK2JAK2JAK1JAK3
SCHEMBL29551879 0.89 JAK2 (0.51) DHODHTYK2JAK2JAK1JAK3
SCHEMBL28358910 0.89 JAK2 (0.51) DHODHTYK2JAK2JAK1JAK3
SCHEMBL29922647 0.85 JAK2 (0.44) DHODHTYK2JAK2JAK1JAK3
SCHEMBL28358976 0.85 JAK2 (0.44) DHODHTYK2JAK2JAK1JAK3
SCHEMBL28359299 0.82 DHODH (0.44) DHODHTYK2JAK2JAK1JAK3
SCHEMBL29922511 0.82 DHODH (0.44) DHODHTYK2JAK2JAK1JAK3
SCHEMBL29552428 0.80 SYK (0.43) DHODHL3MBTL1MAPTALDH1A1KMT2A

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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