SCHEMBL7198151

SCHEMBL7198151

CCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.37
KDM4E B2RXH2 1/20 0.36
CHRM4 P08173 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 1/20 0.36
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
BTK Q06187 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8120612 1.00 IRAK4 (0.37) IRAK4KDM4ECHRM4CYP3A4CYP2C9
SCHEMBL8487363 0.90 CHRM4 (0.37) IRAK4KDM4ECHRM4CYP3A4CYP2C9
SCHEMBL8766710 0.90 CHRM4 (0.37) IRAK4KDM4ECHRM4CYP3A4CYP2C9
SCHEMBL8484462 0.85 IRAK4 (0.34) IRAK4KDM4ECHRM4CYP3A4CYP2C9
SCHEMBL7766736 0.84 IRAK4 (0.37) IRAK4KDM4ECHRM4CYP3A4CYP2C9
SCHEMBL8692339 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8692336 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL7766733 0.84 IRAK4 (0.37) IRAK4KDM4ECHRM4CYP3A4CYP2C9
SCHEMBL8598284 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8598281 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596727-B1 Substituted 4-amino- and 4-alkoxy-cycloalkylpyrimidines, processes for their preparation, and their use as pesticides and fungicides control of pests and as fungicides. HOECHST AKTIENGESELLSCHAFT (DE) 2003-07-22 US disclosed
EP-0631575-B1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-10-04 EP disclosed
EP-0981518-A1 SUBSTITUTED HETEROCYCLIC NITROGENS, METHODS FOR PRODUCING SAME AND THEIR USE AS PEST CONTROL AGENT Hoechst Schering AgrEvo GmbH (DE) 2000-03-01 EP disclosed
EP-0938479-A1 QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1999-09-01 EP disclosed
EP-0938478-A1 QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1999-09-01 EP disclosed
WO-1998051674-A1 SUBSTITUTED HETEROCYCLIC NITROGENS, METHODS FOR PRODUCING SAME AND THEIR USE AS PEST CONTROL AGENT HOECHST SCHERING AGREVO GMBH (DE) 1998-11-19 WO disclosed
US-5780389-A FUNGICIDES, INSECTICIDES, HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-07-14 US disclosed
WO-1998022444-A1 QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-05-28 WO disclosed
WO-1998022445-A1 QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-05-28 WO disclosed
EP-0783244-A1 MICROENCAPSULATED PLANT PROTECTIVE AGENTS, A METHOD OF PRODUCING THEM AND THE USE THEREOF Hoechst Schering AgrEvo GmbH (DE) 1997-07-16 EP disclosed
US-5571815-A Substituted pyrimidines, process for their preparation, and their use as pesticides and fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
WO-1996009760-A1 MICROENCAPSULATED PLANT PROTECTIVE AGENTS, A METHOD OF PRODUCING THEM AND THE USE THEREOF HOECHST SCHERING AGREVO GMBH (DE) 1996-04-04 WO disclosed
EP-0631575-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1995-01-04 EP disclosed
WO-1993019050-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1993-09-30 WO disclosed