SCHEMBL21541562

SCHEMBL21541562

[CH2]n1cc(-c2ccn(Cc3cccc(Br)c3)c(=O)c2)c2cc(N3CCOCC3)cnc21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.54

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
SCHEMBL21541555 0.90 MAPK1 (0.58) MAPK1
SCHEMBL21558013 0.90 MAPK1 (0.54) MAPK1
SCHEMBL25970915 0.90 MAPK1 (0.54) MAPK1
SCHEMBL21541547 0.89 MAPK1 (0.49) MAPK1
SCHEMBL20503867 0.87 MAPK1 (0.51) MAPK1
SCHEMBL21541548 0.86 MAPK1 (0.59) MAPK1
SCHEMBL20503868 0.85 MAPK1 (0.49) MAPK1
SCHEMBL21541557 0.85 MAPK1 (0.57) MAPK1
SCHEMBL20504041 0.84 MAPK1 (0.48) MAPK1
SCHEMBL20503975 0.83 MAPK1 (0.78) MAPK1

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-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 — — EP claimed
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