SCHEMBL21933409

SCHEMBL21933409

N#Cc1nc(NC2CC2)nc(N)c1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
PDE4A P27815 1/20 0.35
CTSS P25774 4/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
CTSV O60911 1/20 0.34
PLAT P00750 1/20 0.34
CTSH P09668 1/20 0.34
CASP14 P31944 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
CASP6 P55212 1/20 0.34
CTSZ Q9UBR2 1/20 0.34
CHUK O15111 1/20 0.33

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
SCHEMBL120066 0.80 CTSK (0.38) CTSKPDE4ACTSSCTSLCTSB
Water SCHEMBL6817641 0.80 CTSK (0.38) CTSKPDE4ACTSSCTSLCTSB
Cyromazine SCHEMBL5742773 0.75 CCNA2 (0.39) CTSKPDE4ACTSSCTSLCTSB
SCHEMBL9639451 0.70 NPSR1 (0.46)
SCHEMBL31524129 0.70 NPC1 (0.51) CTSKCHUK
SCHEMBL28009167 0.70 IDH1 (0.38) CTSKPDE4ACTSSCTSLCTSB
SCHEMBL27847094 0.68 MAPK8 (0.39) PDE4A
Cyromazine SCHEMBL11478220 0.67 NUDT1 (0.41) PDE4ACHUK
SCHEMBL11474745 0.67 PDE4A (0.48) PDE4A
Cyromazine SCHEMBL10832935 0.66 NUDT1 (0.43) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3852878-B1 DICYCLANIL SALT WITH DODECYLBENZENESULFONATE AND USE OF SUCH A SALT IN COMBATING PARASITES ICB PHARMA SPOLKA JAWNA (PL) 2023-08-23 EP disclosed
WO-2020060429-A4 DICYCLANIL SALT WITH DODECYLBENZENESULFONATE AND USE OF SUCH A SALT IN COMBATING AND CONTROLLING OF PARASITES ICB PHARMA TOMASZ ŚWIĘTOSŁAWSKI PAWEŁ ŚWIĘTOSŁAWSKI SPÓŁKA JAWNA (PL) 2020-07-23 WO disclosed
WO-2020060429-A3 DICYCLANIL SALT WITH DODECYLBENZENESULFONATE AND USE OF SUCH A SALT IN COMBATING AND CONTROLLING OF PARASITES ICB PHARMA TOMASZ ŚWIĘTOSŁAWSKI PAWEŁ ŚWIĘTOSŁAWSKI SPÓŁKA JAWNA (PL) 2020-05-14 WO disclosed