SCHEMBL3394042

SCHEMBL3394042

CC(CC=O)Cc1c[nH]c2ncc(Br)nc12

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 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
SCHEMBL3393026 0.78 MAPK1 (0.46) MAPK1
SCHEMBL25302723 0.77 MAPK1 (0.57) MAPK1
SCHEMBL3395483 0.74 MAPK1 (0.47) MAPK1
SCHEMBL3393952 0.72 MAPK1 (0.54) MAPK1
SCHEMBL1352615 0.71 MAPK1 (0.57) MAPK1
SCHEMBL29936350 0.68 MAPK1 (0.57) MAPK1
SCHEMBL1352440 0.68 MAPK1 (0.57) MAPK1
SCHEMBL14376008 0.67 MAPK1 (0.48) MAPK1
SCHEMBL18209957 0.67 MAPK1 (0.48) MAPK1
SCHEMBL18534405 0.66 MAPK1 (0.54) 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-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed