SCHEMBL8766684

SCHEMBL8766684

C=C(C)C1CCC(Nc2ncnc(CC)c2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CHRM4 P08173 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8483787 1.00 BTK (0.37) BTKIRAK4KDM4ECHRM4CYP3A4
SCHEMBL8746756 0.87 BTK (0.41) BTKIRAK4
SCHEMBL8746770 0.85 BTK (0.47) BTKIRAK4
SCHEMBL8914933 0.85 BTK (0.47) BTKIRAK4
SCHEMBL8767935 0.84 BTK (0.36) BTKIRAK4KDM4ECHRM4CYP3A4
SCHEMBL8485445 0.84 BTK (0.36) BTKIRAK4KDM4ECHRM4CYP3A4
SCHEMBL8767927 0.84 BTK (0.36) BTKIRAK4KDM4ECHRM4CYP3A4
SCHEMBL8487365 0.84 BTK (0.42) BTKIRAK4KDM4E
SCHEMBL8486785 0.84 BTK (0.42) BTKIRAK4KDM4E
SCHEMBL8746780 0.82 BTK (0.46) BTKIRAK4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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