SCHEMBL8961457

SCHEMBL8961457

CCc1cc(C#N)nc(Nc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
ADORA1 P30542 3/20 0.47
CTSK P43235 1/20 0.46
ADORA2B P29275 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNH3 Q9ULD8 2/20 0.43

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
SCHEMBL9796156 0.84 CDK2 (0.43) KCNH3
SCHEMBL8961467 0.80 TAAR1 (0.56) ADORA2AADORA1CTSKADORA2BTDP1
SCHEMBL18670793 0.78 MAPT (0.50) TDP1KCNH3
SCHEMBL9277726 0.77 MAPT (0.51) KCNH3
SCHEMBL9501348 0.77 ALDH1A1 (0.44) KCNH3
SCHEMBL8961454 0.75 ADORA1 (0.46) ADORA2AADORA1CTSKADORA2BTDP1
SCHEMBL9500192 0.74 ALDH1A1 (0.42) KCNH3
SCHEMBL4220703 0.70 AURKA (0.59) ADORA2AADORA1CTSKADORA2B
SCHEMBL12483417 0.69 SLC2A1 (0.46) ADORA1ADORA2B
SCHEMBL31484109 0.69 MAPT (0.60) ADORA2AADORA1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457726-B1 2-Anilinopyrimidine derivatives as pesticides CIBA GEIGY AG (CH) 1996-02-07 EP claimed
EP-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP claimed
EP-0457726-B1 2-Anilinopyrimidine derivatives as pesticides CIBA GEIGY AG (CH) 1996-02-07 EP disclosed
US-5439912-A Plant fungicide, insecticide, pesticide CIBA-GEIGY CORPORATION (US) 1995-08-08 US disclosed
EP-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed