SCHEMBL3412922

SCHEMBL3412922

COc1cc(Nc2ncc(-c3ccccc3)c(CCC=C(C)C)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.39
PLK1 P53350 1/20 0.37
SYK P43405 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
BRAF P15056 1/20 0.35

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
SCHEMBL3409944 0.83 MAPT (0.42) IMPDH2MAPK8MAPK9
SCHEMBL4106933 0.81 PSEN1 (0.53)
SCHEMBL3406191 0.80 IMPDH2 (0.45) IMPDH2PLK1
SCHEMBL3410455 0.79 MEN1 (0.42) IMPDH2PLK1MAPK8MAPK9
SCHEMBL3413146 0.77 IMPDH2 (0.40) IMPDH2PLK1MAPK8MAPK9BRAF
SCHEMBL3408509 0.75 CDK9 (0.40) SYK
SCHEMBL3410488 0.74 BRD4 (0.40) IMPDH2PLK1
SCHEMBL3410539 0.74 MAPT (0.43) IMPDH2MAPK8MAPK9
SCHEMBL3409949 0.74 IMPDH2 (0.51) IMPDH2
SCHEMBL3412734 0.72 IGF1R (0.43)

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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed