SCHEMBL29551888

SCHEMBL29551888

NC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.59
▸ JAK1 P23458 7/20 0.59
▸ TYK2 P29597 7/20 0.59
▸ JAK3 P52333 7/20 0.59
▸ MAPT P10636 1/20 0.45
▸ ILK Q13418 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ SYK P43405 4/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ PDE4B Q07343 1/20 0.38

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
SCHEMBL29552249 0.90 TYK2 (0.58) JAK2JAK1TYK2JAK3DHODH
SCHEMBL28359236 0.90 TYK2 (0.58) JAK2JAK1TYK2JAK3DHODH
SCHEMBL28362555 0.89 JAK1 (0.52) JAK2JAK1TYK2JAK3MAPT
SCHEMBL29551925 0.89 JAK1 (0.52) JAK2JAK1TYK2JAK3MAPT
SCHEMBL29551923 0.87 TYK2 (0.55) JAK2JAK1TYK2JAK3MAPT
SCHEMBL28884120 0.87 TYK2 (0.55) JAK2JAK1TYK2JAK3MAPT
SCHEMBL28363100 0.87 JAK2 (0.57) JAK2JAK1TYK2JAK3DHODH
SCHEMBL28359205 0.86 JAK2 (0.56) JAK2JAK1TYK2JAK3DHODH
SCHEMBL29922823 0.85 JAK2 (0.51) JAK2JAK1TYK2JAK3SIRT2
SCHEMBL28362706 0.85 JAK2 (0.55) JAK2JAK1TYK2JAK3

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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