SCHEMBL20018656

SCHEMBL20018656

Cc1cc(-c2n[nH]c3cc(C)ncc23)ccn1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.64

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
SCHEMBL14908080 0.88 MAPK1 (0.62) MAPK1
SCHEMBL22166077 0.84 MAPK1 (0.56) MAPK1
SCHEMBL22166076 0.84 MAPK1 (0.59) MAPK1
SCHEMBL22166082 0.83 MAPK1 (0.64) MAPK1
SCHEMBL12073200 0.81 MAPK1 (0.58) MAPK1
SCHEMBL29988291 0.81 MAPK1 (0.58) MAPK1
SCHEMBL29988595 0.80 MAP2K4 (0.59) MAPK1
SCHEMBL14908043 0.79 MAPK1 (1.00) MAPK1
SCHEMBL4222590 0.78 AXL (0.55) MAPK1
SCHEMBL7920974 0.77 ADORA2A (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed