SCHEMBL29922883

SCHEMBL29922883

CN1CCN(C(=O)C(C)(C)c2ccc(Nc3c(-c4c(F)cccc4F)cnnc3C(N)=O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.40
▸ JAK2 O60674 8/20 0.40
▸ JAK1 P23458 8/20 0.40
▸ JAK3 P52333 8/20 0.40
▸ CCNT1 O60563 3/20 0.35
▸ CDK9 P50750 3/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ CDK6 Q00534 2/20 0.35
▸ CDK11A Q9UQ88 2/20 0.35
▸ BTK Q06187 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ HRH1 P35367 2/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CLK1 P49759 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
SCHEMBL29922608 0.82 JAK2 (0.39) TYK2JAK2JAK1JAK3
SCHEMBL29922756 0.80 JAK2 (0.40) TYK2JAK2JAK1JAK3CCNT1
SCHEMBL28362541 0.80 JAK2 (0.53) TYK2JAK2JAK1JAK3HRH1
SCHEMBL29922681 0.80 JAK2 (0.40) TYK2JAK2JAK1JAK3
SCHEMBL29922888 0.77 MKNK1 (0.37) TYK2JAK2JAK1JAK3BTK
SCHEMBL29922762 0.77 JAK2 (0.46) TYK2JAK2JAK1JAK3
SCHEMBL29922574 0.77 JAK2 (0.48) TYK2JAK2JAK1JAK3CLK2
SCHEMBL29922701 0.74 JAK2 (0.41) TYK2JAK2JAK1JAK3KIT
SCHEMBL29922684 0.74 TYK2 (0.40) TYK2JAK2JAK1JAK3
SCHEMBL29922700 0.73 JAK2 (0.43) TYK2JAK2JAK1JAK3

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
Send feedback