SCHEMBL6268219

SCHEMBL6268219

OC1CCC(Nc2nc(Br)cn3ccnc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 17/20 0.52
HTR2C P28335 1/20 0.41
MAST3 O60307 4/20 0.38
MAPK9 P45984 1/20 0.37

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
SCHEMBL1934008 0.93 HTR2C (0.46) MAPK8HTR2C
SCHEMBL6280533 0.79 MAPK8 (0.50) MAPK8
SCHEMBL6263352 0.78 MAPK8 (0.49) MAPK8
SCHEMBL6264246 0.76 AURKA (0.60) MAPK8
SCHEMBL6265223 0.76 PIK3CA (0.53) MAPK8
SCHEMBL6262205 0.76 MAPK8 (0.47) MAPK8MAST3MAPK9
SCHEMBL6261165 0.75 MAPK8 (0.46) MAPK8
SCHEMBL6264925 0.75 MAPK8 (0.57) MAPK8MAST3MAPK9
SCHEMBL6264959 0.75 MAPK8 (0.46) MAPK8MAPK9
SCHEMBL6270503 0.75 AURKA (0.57) MAPK8

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-2005085252-A1 IMIDAZO ‘1,2-A’ PYRAZINE COMPOUNDS WHICH INTERACT WITH PROTEIN KINASES BIOFOCUS DISCOVERY LIMITED (GB) 2005-09-15 WO disclosed