SCHEMBL22855945

SCHEMBL22855945

Cn1cc(Nc2nccc(N3CC4(C)CN(C(=O)C5CC5(F)F)CC4(C)C3)n2)cn1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.69
▸ JAK2 O60674 18/20 0.69
▸ TYK2 P29597 18/20 0.69
▸ JAK3 P52333 4/20 0.69
▸ KDR P35968 2/20 0.69
▸ STAT1 P42224 1/20 0.69
▸ PRMT7 Q9NVM4 1/20 0.58

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
SCHEMBL22855944 1.00 JAK1 (0.69) JAK1JAK2TYK2JAK3KDR
Hydrochloric Acid SCHEMBL31707387 0.99 JAK1 (0.68) JAK1JAK2TYK2JAK3KDR
SCHEMBL22855940 0.88 JAK2 (0.67) JAK1JAK2TYK2JAK3KDR
SCHEMBL22856293 0.85 JAK2 (0.56) JAK1JAK2TYK2JAK3KDR
SCHEMBL22855943 0.85 JAK2 (0.56) JAK1JAK2TYK2JAK3KDR
Hydrochloric Acid SCHEMBL31707386 0.84 JAK2 (0.55) JAK1JAK2TYK2JAK3KDR
SCHEMBL22855861 0.83 JAK2 (0.53) JAK1JAK2TYK2JAK3KDR
SCHEMBL22855860 0.83 JAK2 (0.53) JAK1JAK2TYK2JAK3KDR
SCHEMBL22855950 0.83 JAK1 (0.52) JAK1JAK2TYK2JAK3KDR
SCHEMBL22855947 0.83 JAK1 (0.52) JAK1JAK2TYK2JAK3KDR

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
WO-2020259584-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2020-12-30 — — WO disclosed
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