SCHEMBL29551775

SCHEMBL29551775

COC(=O)c1nnc(-c2c(F)cccc2Cl)cc1Nc1ccc(N2CCN(C3CC3)CC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.55
▸ JAK2 O60674 5/20 0.55
▸ JAK1 P23458 4/20 0.55
▸ JAK3 P52333 4/20 0.55
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ WEE1 P30291 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL28359048 1.00 TYK2 (0.55) TYK2JAK2JAK1JAK3CYP3A4
SCHEMBL28358941 0.91 TYK2 (0.68) TYK2JAK2JAK1JAK3CYP3A4
SCHEMBL28359224 0.89 TYK2 (0.56) TYK2JAK2JAK1JAK3CYP3A4
SCHEMBL29922837 0.89 TYK2 (0.56) TYK2JAK2JAK1JAK3CYP3A4
SCHEMBL28362691 0.85 TYK2 (0.70) TYK2JAK2JAK1JAK3WEE1
SCHEMBL29922584 0.84 SYK (0.35) TYK2JAK2JAK1JAK3
SCHEMBL28359081 0.84 SYK (0.35) TYK2JAK2JAK1JAK3
SCHEMBL28362942 0.84 TYK2 (0.51) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29552194 0.84 TYK2 (0.51) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29922746 0.81 TYK2 (0.81) TYK2JAK2JAK1JAK3ALDH1A1

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 2 patents. 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
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
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