SCHEMBL16592834

SCHEMBL16592834

CC(C)(C)OC(=O)ON1CCC(C)(N2Cc3c[nH]c4nccc(c34)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.37
▸ BTK Q06187 3/20 0.33
▸ JAK2 O60674 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL16592905 0.89 JAK1 (0.38) JAK1BTK
SCHEMBL1952848 0.87 JAK1 (0.47) JAK1BTKJAK2
SCHEMBL16592839 0.83 JAK2 (0.35) JAK1BTKJAK2CDK9
SCHEMBL16592872 0.81 JAK2 (0.35) JAK1JAK2
SCHEMBL16592825 0.79 CDC42BPB (0.35) JAK1BTKJAK2CDK9
SCHEMBL16592850 0.78 MAPK1 (0.35) JAK1BTKJAK2CDK9
SCHEMBL1705735 0.77 JAK2 (0.38) JAK1JAK2
SCHEMBL1950678 0.77 JAK1 (0.47) JAK1
SCHEMBL1952365 0.76 NAMPT (0.39) JAK1JAK2
SCHEMBL1953472 0.72 BTK (0.46) JAK1BTKJAK2CDK9

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-2440558-B1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL (JP) 2015-04-01 — — EP claimed
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