SCHEMBL29922889

SCHEMBL29922889

NC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc(C(=O)NC2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.52
▸ JAK1 P23458 12/20 0.52
▸ TYK2 P29597 12/20 0.52
▸ JAK3 P52333 12/20 0.52
▸ IDO1 P14902 1/20 0.45
▸ WEE1 P30291 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL29922637 0.89 TYK2 (0.63) JAK2JAK1TYK2JAK3SYK
SCHEMBL29922762 0.82 JAK2 (0.46) JAK2JAK1TYK2JAK3SYK
SCHEMBL29922887 0.82 JAK1 (0.40) JAK2JAK1TYK2JAK3SYK
SCHEMBL28362673 0.79 JAK2 (0.59) JAK2JAK1TYK2JAK3IDO1
SCHEMBL29922700 0.79 JAK2 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL29922923 0.77 JAK2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL29922682 0.76 TYK2 (0.51) JAK2JAK1TYK2JAK3
SCHEMBL29922608 0.76 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL29922801 0.76 RAB9A (0.54) JAK2JAK1TYK2JAK3
SCHEMBL29923095 0.75 JAK2 (0.66) 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
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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