SCHEMBL11023002

SCHEMBL11023002

N#Cc1c(-c2c(Cl)cc(Cl)cc2Cl)n[nH]c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
GAA P10253 3/20 0.39
GFER P55789 1/20 0.39
DYRK1A Q13627 3/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 1/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ADORA2B P29275 2/20 0.36
ATM Q13315 1/20 0.36
PLA2G2A P14555 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL11133773 0.85 PRKACA (0.36) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL11028475 0.85 GABRA2 (0.43) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL10620965 0.82 GAA (0.40) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL11378453 0.81 GSK3A (0.48) PRKACAPRKACGPRKACBGAADYRK1A
SCHEMBL10915052 0.81 GAA (0.36) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL11380067 0.78 PRKACA (0.38) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL8302686 0.76 DYRK1A (0.35) GAAGFERDYRK1ACDK5CDK5R1
SCHEMBL22026517 0.76 GAA (0.39) PRKACAPRKACGPRKACBGAAGFER
SCHEMBL3642286 0.75 IDO1 (0.45) GAAGFERDYRK1ACDK5CDK5R1
SCHEMBL11134308 0.75 PRKACA (0.38) PRKACAPRKACGPRKACBGAAGFER

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-0026034-A1 5-Amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole, process for its preparation, herbicidal compositions containing it and their use FBC LIMITED (GB) 1981-04-01 EP claimed
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 EP disclosed
EP-0083613-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES. MAY & BAKER LTD (GB) 1983-07-20 EP disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed
EP-0026034-A1 5-Amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole, process for its preparation, herbicidal compositions containing it and their use FBC LIMITED (GB) 1981-04-01 EP disclosed