SCHEMBL17870997

SCHEMBL17870997

[CH2]CN1C(=O)c2cc(-c3ccnc(Nc4ccnn4C)n3)sc2C1(C)C

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.75
MAPK3 P27361 2/20 0.75
MAP3K14 Q99558 1/20 0.41
MAPK6 Q16659 3/20 0.39

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
SCHEMBL17837220 0.90 MAPK1 (0.77) MAPK1MAPK3MAP3K14MAPK6
SCHEMBL23141477 0.89 MAPK1 (0.73) MAPK1MAPK3MAP3K14MAPK6
SCHEMBL17881939 0.88 MAPK1 (0.75) MAPK1MAPK3MAP3K14MAPK6
SCHEMBL23141722 0.88 MAPK1 (0.72) MAPK1MAPK3MAP3K14
SCHEMBL23528176 0.86 MAPK1 (0.69) MAPK1MAPK3MAPK6
Temuterkib SCHEMBL17837273 0.86 MAPK1 (1.00) MAPK1MAPK3MAP3K14MAPK6
SCHEMBL23141595 0.85 MAPK1 (0.68) MAPK1MAPK3MAP3K14
SCHEMBL17837212 0.85 MAPK1 (0.86) MAPK1MAPK3MAP3K14MAPK6
SCHEMBL17837237 0.85 MAPK1 (0.70) MAPK1MAPK3MAP3K14MAPK6
SCHEMBL17837170 0.85 MAPK1 (0.69) MAPK1MAPK3MAP3K14MAPK6

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 3 patents. 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
EP-3237423-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS Eli Lilly and Company (US) 2017-11-01 EP disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed