SCHEMBL23633770

SCHEMBL23633770

CC1COCCN1CCN1C(=O)c2cc(-c3ccnc(Nc4ccnn4C)n3)sc2C1(C)C

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.79
MAPK3 P27361 1/20 0.79
MAPK6 Q16659 6/20 0.38

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
SCHEMBL17837180 1.00 MAPK1 (0.79) MAPK1MAPK3MAPK6
Temuterkib SCHEMBL17837273 0.88 MAPK1 (1.00) MAPK1MAPK3MAPK6
SCHEMBL17837201 0.88 MAPK1 (0.74) MAPK1MAPK3MAPK6
SCHEMBL17881857 0.88 MAPK1 (0.74) MAPK1MAPK3MAPK6
SCHEMBL17837306 0.85 MAPK1 (0.94) MAPK1MAPK3
SCHEMBL17837212 0.84 MAPK1 (0.86) MAPK1MAPK3MAPK6
Temuterkib SCHEMBL28928408 0.84 MAPK1 (0.91) MAPK1MAPK3
SCHEMBL17837258 0.84 MAPK1 (0.79) MAPK1MAPK3MAPK6
SCHEMBL17837246 0.83 MAPK1 (0.83) MAPK1MAPK3MAPK6
SCHEMBL17856228 0.83 MAPK1 (0.83) MAPK1MAPK3MAPK6

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
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed