SCHEMBL29922701

SCHEMBL29922701

CN1Cc2cc(Nc3c(-c4c(F)cccc4F)cnnc3C(N)=O)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.41
▸ KIT P10721 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ PRF1 P14222 6/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ UGCG Q16739 2/20 0.34
▸ MYLK Q15746 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33

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
SCHEMBL29922756 0.86 JAK2 (0.40) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL28362689 0.81 JAK2 (0.51) JAK2KITFLT3MKNK1PARP1
SCHEMBL29922888 0.79 MKNK1 (0.37) JAK2MKNK1JAK1TYK2JAK3
SCHEMBL29922592 0.78 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL29922762 0.75 JAK2 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL29922608 0.75 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL29552095 0.74 JAK2 (0.51) JAK2KITFLT3MKNK1PIK3CA
SCHEMBL29922684 0.74 TYK2 (0.40) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29922887 0.73 JAK1 (0.40) JAK2FLT3JAK1TYK2JAK3
SCHEMBL29922706 0.72 JAK2 (0.43) JAK2JAK1TYK2JAK3LRRK2

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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