SCHEMBL21339752

SCHEMBL21339752

COc1cnc2c(C3CCN(C(=O)O)CC3)ncnc2c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 20/20 0.66
SLC2A1 P11166 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL21332259 0.87 MAPK7 (0.73) MAPK7SLC2A1SIGMAR1
SCHEMBL21332047 0.86 MAPK7 (0.64) MAPK7SLC2A1SIGMAR1
SCHEMBL4966588 0.81 MAPK7 (0.68) MAPK7
SCHEMBL21332282 0.80 MAPK7 (1.00) MAPK7SLC2A1SIGMAR1
SCHEMBL4966215 0.79 MAPK7 (0.68) MAPK7
SCHEMBL21339692 0.78 MAPK7 (0.51) MAPK7
Hydrochloric Acid SCHEMBL21332104 0.77 MAPK7 (0.50) MAPK7
SCHEMBL4962360 0.76 MAPK7 (0.71) MAPK7
SCHEMBL21339637 0.72 KIT (0.42) MAPK7
SCHEMBL21331983 0.72 MAPK7 (0.48) MAPK7SLC2A1SIGMAR1

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
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 WO disclosed