SCHEMBL3948112

SCHEMBL3948112

Brc1c(C2=CC=C2)nc2cccnn12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PDE4A P27815 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL456971 0.73 MKNK1 (0.37) RIPK3AKT1AKT2PDE4AMKNK1
SCHEMBL3954508 0.65 DYRK1A (0.32)
SCHEMBL3948108 0.64 ALOX5 (0.36) RIPK3AKT1AKT2PDE4A
SCHEMBL1745964 0.63 PDE4A (0.48) AKT1AKT2PDE4AMKNK1
SCHEMBL22189751 0.60 AKT1 (0.48) RIPK3AKT1AKT2PDE4A
SCHEMBL17492375 0.60 PDE4B (0.62) PDE4A
SCHEMBL1746576 0.59 MKNK1 (0.49) RIPK3AKT1AKT2PDE4AMKNK1
SCHEMBL10437261 0.59 PDE10A (0.41) PDE4AMKNK1
SCHEMBL477032 0.59 MKNK1 (0.53) PDE4AMKNK1
SCHEMBL14034448 0.59 PDE4A (0.43) PDE4AMKNK1

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-2009029625-A1 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed