SCHEMBL29922629

SCHEMBL29922629

COC(=O)c1nnc(-c2c(F)cccc2Cl)cc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.64
▸ JAK2 O60674 9/20 0.64
▸ JAK1 P23458 6/20 0.64
▸ JAK3 P52333 6/20 0.64
▸ HPGD P15428 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL28359080 1.00 TYK2 (0.64) TYK2JAK2JAK1JAK3HPGD
SCHEMBL29551892 0.91 TYK2 (0.67) TYK2JAK2JAK1JAK3HPGD
SCHEMBL28884127 0.90 TYK2 (0.79) TYK2JAK2JAK1JAK3HPGD
Hydrochloric Acid SCHEMBL28362636 0.89 TYK2 (0.78) TYK2JAK2JAK1JAK3HPGD
SCHEMBL29922746 0.89 TYK2 (0.81) TYK2JAK2JAK1JAK3MAPT
SCHEMBL28359040 0.89 TYK2 (0.81) TYK2JAK2JAK1JAK3MAPT
SCHEMBL28362763 0.81 JAK2 (0.59) TYK2JAK2JAK1JAK3HPGD
SCHEMBL29922544 0.81 JAK2 (0.59) TYK2JAK2JAK1JAK3HPGD
SCHEMBL28358944 0.81 JAK2 (0.51) TYK2JAK2JAK1JAK3MAPT
SCHEMBL29922577 0.81 JAK2 (0.51) TYK2JAK2JAK1JAK3MAPT

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
Send feedback