SCHEMBL21075869

SCHEMBL21075869

CC1(C)c2sc(-c3ccnc(N/C(N)=C/N)n3)cc2C(=O)N1CCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.71
MAPK1 P28482 1/20 0.71
MKNK1 Q9BUB5 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
EIF2AK2 P19525 2/20 0.36
CASR P41180 1/20 0.36
PIK3CA P42336 2/20 0.35
SYK P43405 7/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CDK4 P11802 1/20 0.34
GSK3B P49841 1/20 0.34
MAP3K14 Q99558 1/20 0.34

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
SCHEMBL21965940 0.90 MAPK1 (0.78) MAPK3MAPK1MKNK1MAPK13MAPK12
SCHEMBL21075927 0.86 MAPK1 (0.66) MAPK3MAPK1MKNK1MAPK13MAPK12
Temuterkib SCHEMBL17837273 0.83 MAPK1 (1.00) MAPK3MAPK1MKNK1ABL1BCR
SCHEMBL21075880 0.83 MAPK3 (0.62) MAPK3MAPK1MKNK1MAPK13MAPK12
SCHEMBL17837271 0.82 MAPK3 (0.70) MAPK3MAPK1MKNK1ABL1BCR
SCHEMBL17837198 0.82 MAPK3 (0.77) MAPK3MAPK1MKNK1ABL1BCR
SCHEMBL17837281 0.82 MAPK3 (0.74) MAPK3MAPK1MKNK1MAPK12ABL1
SCHEMBL17837263 0.81 MAPK3 (0.81) MAPK3MAPK1MKNK1ABL1BCR
Temuterkib SCHEMBL28928408 0.81 MAPK1 (0.91) MAPK3MAPK1ABL1BCRMAP3K14
SCHEMBL17837172 0.81 MAPK3 (0.72) MAPK3MAPK1MAPK13MAPK12MAPK11

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