SCHEMBL24615496

SCHEMBL24615496

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.56
▸ JAK1 P23458 11/20 0.56
▸ TYK2 P29597 11/20 0.56
▸ JAK3 P52333 4/20 0.56
▸ KDR P35968 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ KIT P10721 6/20 0.41
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ TPX2 Q9ULW0 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39

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
SCHEMBL24615619 0.88 JAK1 (0.56) JAK2JAK1TYK2JAK3KDR
SCHEMBL24615337 0.87 JAK2 (0.52) JAK2JAK1TYK2JAK3KIT
SCHEMBL29772793 0.87 JAK2 (0.52) JAK2JAK1TYK2JAK3KIT
SCHEMBL24615501 0.85 TYK2 (0.55) JAK2JAK1TYK2JAK3KDR
SCHEMBL29772764 0.85 TYK2 (0.55) JAK2JAK1TYK2JAK3KDR
SCHEMBL24615492 0.85 JAK1 (0.50) JAK2JAK1TYK2JAK3KDR
SCHEMBL24615502 0.85 JAK1 (0.48) JAK2JAK1TYK2JAK3KDR
SCHEMBL24615536 0.83 JAK1 (0.48) JAK2JAK1TYK2KITAURKA
SCHEMBL30669778 0.83 JAK1 (0.48) JAK2JAK1TYK2KITAURKA
SCHEMBL27280129 0.83 JAK1 (0.48) JAK2JAK1TYK2KITAURKA

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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