SCHEMBL8487972

SCHEMBL8487972

C=C[C@H]1CC[C@@H](Nc2ncnc(CC)c2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 4/20 0.35
CHRM4 P08173 3/20 0.35
CYP2C9 P11712 1/20 0.35
JAK3 P52333 6/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K4 O95819 1/20 0.33
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8487970 1.00 IRAK4 (0.36) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8488399 0.87 IRAK4 (0.39) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8488396 0.87 IRAK4 (0.39) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8488247 0.86 IRAK4 (0.37) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8766984 0.86 IRAK4 (0.37) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8767156 0.86 IRAK4 (0.37) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8486378 0.86 IRAK4 (0.37) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8486736 0.86 IRAK4 (0.37) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8766979 0.86 IRAK4 (0.37) IRAK4KDM4ECYP3A4CHRM4CYP2C9
SCHEMBL8767161 0.86 IRAK4 (0.37) IRAK4KDM4ECYP3A4CHRM4CYP2C9

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
US-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed
EP-0787128-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1997-08-06 EP disclosed
WO-1996011913-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-04-25 WO disclosed