SCHEMBL9986993

SCHEMBL9986993

Cc1cc(-n2ncc3cc(C(=O)O)ccc32)ccn1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.53

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
SCHEMBL9959878 0.89 MAPK1 (0.52) MAPK1
SCHEMBL15249631 0.84 MAOB (0.43) MAPK1
SCHEMBL30864308 0.84 HCAR2 (0.45)
SCHEMBL9986667 0.82 SMO (0.49) MAPK1
SCHEMBL30040852 0.82 SMO (0.49) MAPK1
SCHEMBL21725159 0.82 IRAK4 (0.43)
SCHEMBL1667310 0.81 PLA2G10 (0.55)
SCHEMBL121760 0.81 KHK (0.55)
SCHEMBL2610311 0.79 MGLL (0.57)
SCHEMBL30864253 0.79 CYP11B2 (0.63) MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584903-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
WO-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 WO disclosed