SCHEMBL11090451

SCHEMBL11090451

CCNc1nc(C#N)c(C#N)nc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
ADORA1 P30542 7/20 0.48
ADORA2B P29275 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 5/20 0.45
CHUK O15111 1/20 0.42
PGK1 P00558 1/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
USP47 Q96K76 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIK3CD O00329 2/20 0.38
LRRK2 Q5S007 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
SCHEMBL11094919 0.91 ADORA1 (0.45) MAP4K4ADORA1ADORA2BL3MBTL1ADORA2A
SCHEMBL11090534 0.85 CTSS (0.49) ADORA1ADORA2BADORA2APGK1GABRG2
SCHEMBL11085923 0.85 CTSS (0.47) ADORA1ADORA2BL3MBTL1ADORA2APGK1
SCHEMBL11093293 0.84 ADORA1 (0.60) MAP4K4ADORA1ADORA2BADORA2APGK1
SCHEMBL11090104 0.83 ADORA1 (0.59) ADORA1ADORA2BADORA2AUSP8HPGD
SCHEMBL11096062 0.76 CTSS (0.44) ADORA1ADORA2BL3MBTL1ADORA2AUSP8
SCHEMBL11090728 0.76 CTSS (0.46) ADORA1ADORA2BL3MBTL1ADORA2AGABRG2
SCHEMBL11401495 0.76 ADORA1 (0.50) ADORA1ADORA2BL3MBTL1ADORA2ACHUK
SCHEMBL11089932 0.76 ERBB2 (0.47) ADORA1ADORA2BADORA2APGK1USP8
SCHEMBL11087127 0.75 ADORA1 (0.51) MAP4K4ADORA1ADORA2BL3MBTL1ADORA2A

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
US-4460403-A 2,3-Dicyano 6 phenyl pyrazine herbicides KYOWA GAS CHEMICAL INDUSTRY CO., LTD. (JP) 1984-07-17 US disclosed
US-4259489-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES KYOWA GAS CHEMICAL INDUSTRY CO. LTD. (JP) 1981-03-31 US disclosed