SCHEMBL16592905

SCHEMBL16592905

CCC1(N2Cc3c[nH]c4nccc(c34)C2=O)CCN(OC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.38
▸ BTK Q06187 1/20 0.33

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
SCHEMBL16592834 0.89 JAK1 (0.37) JAK1BTK
SCHEMBL1950678 0.89 JAK1 (0.47) JAK1
SCHEMBL1952880 0.82 JAK1 (0.36) JAK1
SCHEMBL1706287 0.81 JAK1 (0.35) JAK1
SCHEMBL16592839 0.81 JAK2 (0.35) JAK1BTK
SCHEMBL1706643 0.79 JAK2 (0.36) —
SCHEMBL1952848 0.78 JAK1 (0.47) JAK1BTK
SCHEMBL1705696 0.78 NAMPT (0.38) JAK1
SCHEMBL16592850 0.77 MAPK1 (0.35) JAK1BTK
SCHEMBL16592825 0.77 CDC42BPB (0.35) JAK1BTK

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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