SCHEMBL7766736

SCHEMBL7766736

CCc1ncnc(N[C@H]2CC[C@@H](C(C)(C)C)CC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 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
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CHRM4 P08173 1/20 0.33
CYP2C9 P11712 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
SCHEMBL7766733 1.00 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8596445 0.85 IRAK4 (0.39) IRAK4KDM4ECYP3A4USP2CYP1A2
SCHEMBL8596448 0.85 IRAK4 (0.39) IRAK4KDM4ECYP3A4USP2CYP1A2
SCHEMBL8593882 0.84 IRAK4 (0.36) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8593884 0.84 IRAK4 (0.36) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8120612 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8692339 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8692336 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL8598284 0.84 IRAK4 (0.37) IRAK4KDM4ECYP3A4USP2LMNA
SCHEMBL7198151 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 US disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 WO disclosed