SCHEMBL24615446

SCHEMBL24615446

Cn1cc(-c2nc3c(N4CC5CCC(C4)N5C(=O)C4CC4(F)F)ccnc3[nH]2)cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.60
▸ JAK2 O60674 16/20 0.60
▸ TYK2 P29597 16/20 0.60
▸ JAK3 P52333 6/20 0.60
▸ KDR P35968 2/20 0.60
▸ STAT1 P42224 1/20 0.60
▸ PRMT7 Q9NVM4 1/20 0.51

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
SCHEMBL29772763 1.00 JAK1 (0.60) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615445 1.00 JAK1 (0.60) JAK1JAK2TYK2JAK3KDR
SCHEMBL29772835 0.88 JAK2 (0.57) JAK1JAK2TYK2JAK3KDR
SCHEMBL29772826 0.88 JAK2 (0.57) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615462 0.88 JAK2 (0.57) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615449 0.87 TYK2 (0.59) JAK1JAK2TYK2JAK3KDR
SCHEMBL29772716 0.87 TYK2 (0.59) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615246 0.84 RET (0.46) JAK1JAK2TYK2JAK3KDR
SCHEMBL30669773 0.84 RET (0.46) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615619 0.83 JAK1 (0.56) 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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