SCHEMBL21075928

SCHEMBL21075928

CN/C(=C\C=N)Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CC4CCC(C2)O4)C3=O)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL21075927 0.88 MAPK1 (0.66) MAPK3MAPK1
SCHEMBL21075925 0.88 MAPK3 (0.56) MAPK3MAPK1
SCHEMBL21075890 0.87 MAPK3 (0.52) MAPK3MAPK1
SCHEMBL21075880 0.86 MAPK3 (0.62) MAPK3MAPK1
SCHEMBL21075873 0.86 MAPK3 (0.49) MAPK3MAPK1
SCHEMBL21075870 0.85 MAPK3 (0.52) MAPK3MAPK1
SCHEMBL21075977 0.84 MAPK3 (0.55) MAPK3MAPK1
SCHEMBL21075939 0.84 MAPK3 (0.46) MAPK3MAPK1
SCHEMBL21075872 0.84 MAPK3 (0.56) MAPK3MAPK1
SCHEMBL21075891 0.84 MAPK3 (0.56) MAPK3MAPK1

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-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed