SCHEMBL2787356

SCHEMBL2787356

CCOc1ncccc1-c1[nH]c2ncc(Cc3ccccc3)nc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 17/20 0.39
PDE1B Q01064 17/20 0.39
PDE1C Q14123 17/20 0.39
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL2787754 0.87 CCNB2 (0.39) PDE1APDE1BPDE1CCCNB2CDK1
SCHEMBL2788889 0.76 GSK3A (0.60) PDE1APDE1BPDE1CCCNB2CDK1
SCHEMBL2786536 0.69 CDK1 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL28195540 0.63 L3MBTL1 (0.47) PDE1APDE1BPDE1CL3MBTL1
SCHEMBL4102153 0.60 PDE1B (0.44) PDE1APDE1BPDE1CTLR8TLR7
SCHEMBL29982576 0.60 PDE1A (0.45) PDE1APDE1BPDE1CL3MBTL1
SCHEMBL29983314 0.59 PDE1A (0.48) PDE1APDE1BPDE1C
SCHEMBL15301760 0.58 CCR1 (0.55) L3MBTL1
SCHEMBL1842773 0.58 HPGD (0.53) L3MBTL1
SCHEMBL2352879 0.58 TLR8 (0.41) CDK1GSK3AGSK3BTLR8TLR7

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-2010046215-A2 DIAZA-INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-04-29 WO disclosed