SCHEMBL29922637

SCHEMBL29922637

NC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc(C(=O)NC2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.63
▸ JAK3 P52333 10/20 0.63
▸ JAK2 O60674 9/20 0.63
▸ JAK1 P23458 9/20 0.63
▸ SYK P43405 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ WNT1 P04628 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL29922889 0.89 JAK2 (0.52) TYK2JAK3JAK2JAK1SYK
SCHEMBL29922762 0.82 JAK2 (0.46) TYK2JAK3JAK2JAK1SYK
SCHEMBL28359121 0.79 TYK2 (0.64) TYK2JAK3JAK2JAK1CDK1
SCHEMBL29922700 0.79 JAK2 (0.43) TYK2JAK3JAK2JAK1HDAC6
SCHEMBL3121172 0.78 JAK2 (1.00) TYK2JAK3JAK2JAK1
SCHEMBL29922608 0.76 JAK2 (0.39) TYK2JAK3JAK2JAK1
SCHEMBL20093309 0.74 JAK2 (0.89) TYK2JAK3JAK2JAK1
SCHEMBL29922753 0.74 JAK3 (0.34) TYK2JAK3JAK2JAK1LCK
SCHEMBL29922592 0.73 JAK2 (0.39) TYK2JAK3JAK2JAK1
SCHEMBL29922684 0.73 TYK2 (0.40) TYK2JAK3JAK2JAK1

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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