SCHEMBL29551892

SCHEMBL29551892

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.67
▸ JAK2 O60674 10/20 0.67
▸ JAK1 P23458 6/20 0.67
▸ JAK3 P52333 6/20 0.67
▸ NTRK1 P04629 1/20 0.45
▸ HPGD P15428 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL28884127 0.92 TYK2 (0.79) TYK2JAK2JAK1JAK3NTRK1
Hydrochloric Acid SCHEMBL28362636 0.91 TYK2 (0.78) TYK2JAK2JAK1JAK3NTRK1
SCHEMBL28359080 0.91 TYK2 (0.64) TYK2JAK2JAK1JAK3NTRK1
SCHEMBL29922629 0.91 TYK2 (0.64) TYK2JAK2JAK1JAK3NTRK1
SCHEMBL29552183 0.88 TYK2 (0.85) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL28359087 0.80 TYK2 (1.00) TYK2JAK2JAK1JAK3
SCHEMBL29552228 0.80 TYK2 (0.61) TYK2JAK2JAK1JAK3NPC1
SCHEMBL28359040 0.79 TYK2 (0.81) TYK2JAK2JAK1JAK3RXFP1
SCHEMBL28359167 0.78 JAK2 (0.69) TYK2JAK2JAK1JAK3NPC1
SCHEMBL29551995 0.78 JAK2 (0.69) TYK2JAK2JAK1JAK3NPC1

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
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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