SCHEMBL21541551

SCHEMBL21541551

[CH2]n1cc(-c2ccn(Cc3cc(F)cc(Cl)c3)c(=O)c2)c2cc(N3CCOCC3)cnc21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 19/20 0.53
▸ P2RX7 Q99572 1/20 0.41

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
SCHEMBL21558021 0.91 MAPK1 (0.53) MAPK1P2RX7
SCHEMBL21541547 0.91 MAPK1 (0.49) MAPK1
SCHEMBL21541563 0.91 MAPK1 (0.52) MAPK1
SCHEMBL25970998 0.91 MAPK1 (0.53) MAPK1P2RX7
SCHEMBL21541548 0.90 MAPK1 (0.59) MAPK1
SCHEMBL21541555 0.89 MAPK1 (0.58) MAPK1
SCHEMBL20503878 0.87 MAPK1 (0.49) MAPK1P2RX7
SCHEMBL20503879 0.86 MAPK1 (0.48) MAPK1P2RX7
SCHEMBL20504033 0.85 MAPK1 (0.49) MAPK1P2RX7
SCHEMBL21541556 0.83 MAPK1 (0.61) 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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