SCHEMBL29922528

SCHEMBL29922528

NC(=O)c1nncc(-c2c(F)cccc2Cl)c1Nc1ccc(N2CCN(C3CC3)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.45
▸ JAK2 O60674 11/20 0.45
▸ JAK1 P23458 11/20 0.45
▸ TYK2 P29597 8/20 0.45
▸ WEE1 P30291 3/20 0.36
▸ SYK P43405 1/20 0.36
▸ P2RX7 Q99572 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ CDK11A Q9UQ88 1/20 0.33
▸ BTK Q06187 1/20 0.32

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
SCHEMBL29922918 0.88 JAK2 (0.44) JAK3JAK2JAK1TYK2WEE1
Hydrochloric Acid SCHEMBL29922825 0.83 JAK1 (0.50) JAK3JAK2JAK1TYK2SYK
SCHEMBL28358941 0.82 TYK2 (0.68) JAK3JAK2JAK1TYK2WEE1
Hydrochloric Acid SCHEMBL29922656 0.82 JAK2 (0.42) JAK3JAK2JAK1TYK2SYK
SCHEMBL29923095 0.81 JAK2 (0.66) JAK3JAK2JAK1TYK2MAPK8
SCHEMBL29552531 0.80 JAK2 (0.43) JAK3JAK2JAK1TYK2WEE1
SCHEMBL28362691 0.76 TYK2 (0.70) JAK3JAK2JAK1TYK2WEE1
SCHEMBL29922714 0.75 JAK2 (0.47) JAK3JAK2JAK1TYK2
SCHEMBL29551775 0.75 TYK2 (0.55) JAK3JAK2JAK1TYK2WEE1
SCHEMBL29922596 0.74 JAK2 (0.61) JAK3JAK2JAK1TYK2

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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