SCHEMBL21966233

SCHEMBL21966233

C=c1/c(=C\C=C/C)[nH]c(=O)n1C1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ TSHR P16473 1/20 0.30

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
SCHEMBL20079390 0.72 JAK2 (0.35) JAK2JAK3TSHR
SCHEMBL14403679 0.68 JAK2 (0.33) JAK2JAK3
SCHEMBL12087744 0.62 JAK2 (0.33) JAK2JAK3
SCHEMBL602399 0.62 CHRM2 (0.51) JAK2JAK3
SCHEMBL13655800 0.61 MAPK1 (0.31) —
SCHEMBL44492 0.61 CHRM1 (0.63) —
SCHEMBL29467164 0.61 CHRM1 (0.63) —
SCHEMBL1198100 0.60 TNKS (0.53) JAK2JAK3
SCHEMBL3243793 0.60 HSD11B1 (0.53) —
SCHEMBL1760904 0.60 OPRM1 (0.57) —

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
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 — — EP disclosed
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