SCHEMBL16496722

SCHEMBL16496722

CC(c1ccccc1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 1.00
▸ JAK3 P52333 10/20 1.00
▸ JAK1 P23458 9/20 1.00
▸ USP1 O94782 10/20 0.60

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
SCHEMBL1693475 1.00 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693150 1.00 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693514 0.89 JAK2 (0.81) JAK2JAK3JAK1USP1
SCHEMBL1693517 0.89 JAK2 (0.81) JAK2JAK3JAK1USP1
SCHEMBL1693853 0.88 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693851 0.88 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693266 0.88 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693268 0.88 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693463 0.88 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693489 0.86 JAK2 (0.77) JAK2JAK3JAK1USP1

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-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 — — EP disclosed
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