SCHEMBL24615619

SCHEMBL24615619

Cn1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4CC4(F)F)ccnc3[nH]2)cn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.56
▸ JAK2 O60674 16/20 0.56
▸ TYK2 P29597 16/20 0.56
▸ JAK3 P52333 5/20 0.56
▸ KDR P35968 2/20 0.56
▸ STAT1 P42224 1/20 0.56
▸ PRMT7 Q9NVM4 1/20 0.48

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
SCHEMBL24615337 0.88 JAK2 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL29772793 0.88 JAK2 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL24615496 0.88 JAK2 (0.56) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615501 0.87 TYK2 (0.55) JAK1JAK2TYK2JAK3KDR
SCHEMBL29772764 0.87 TYK2 (0.55) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615500 0.86 JAK1 (0.51) JAK1JAK2TYK2JAK3KDR
SCHEMBL30669778 0.84 JAK1 (0.48) JAK1JAK2TYK2
SCHEMBL27280129 0.84 JAK1 (0.48) JAK1JAK2TYK2
SCHEMBL24615536 0.84 JAK1 (0.48) JAK1JAK2TYK2
SCHEMBL24615445 0.83 JAK1 (0.60) 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-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 — — WO disclosed
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