SCHEMBL21557754

SCHEMBL21557754

O=c1cc(-c2c[nH]c3ncc(N4CCOC(CNOCCO)C4)cc23)ccn1Cc1cccc(I)c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.55

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
SCHEMBL18892014 0.93 MAPK1 (0.66) MAPK1
SCHEMBL18891662 0.83 MAPK1 (0.70) MAPK1
SCHEMBL18892271 0.83 MAPK1 (0.74) MAPK1
SCHEMBL18892270 0.83 MAPK1 (0.68) MAPK1
SCHEMBL18860577 0.82 MAPK1 (0.79) MAPK1
SCHEMBL18892012 0.81 MAPK1 (0.69) MAPK1
SCHEMBL21557756 0.80 MAPK1 (0.44) MAPK1
SCHEMBL18892011 0.80 MAPK1 (0.71) MAPK1
SCHEMBL18891663 0.79 MAPK1 (0.69) MAPK1
SCHEMBL18892099 0.78 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 disclosed
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