SCHEMBL29922756

SCHEMBL29922756

CN1Cc2ccc(Nc3c(-c4c(F)cccc4F)cnnc3C(N)=O)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.40
▸ JAK1 P23458 10/20 0.40
▸ TYK2 P29597 10/20 0.40
▸ JAK3 P52333 10/20 0.40
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ WEE1 P30291 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.36
▸ MAP4K1 Q92918 2/20 0.36
▸ SYK P43405 1/20 0.35
▸ TNK2 Q07912 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ CDK11A Q9UQ88 1/20 0.34

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
SCHEMBL29922701 0.86 JAK2 (0.41) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29922883 0.80 TYK2 (0.40) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL29922592 0.80 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL29922888 0.79 MKNK1 (0.37) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29922608 0.79 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL29922762 0.79 JAK2 (0.46) JAK2JAK1TYK2JAK3SYK
SCHEMBL28358955 0.78 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL29922684 0.78 TYK2 (0.40) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29922574 0.77 JAK2 (0.48) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL29922700 0.76 JAK2 (0.43) 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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