SCHEMBL3415110

SCHEMBL3415110

Nc1nccc(OC2CCCOC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.39
NUDT1 P36639 2/20 0.38
GRM5 P41594 2/20 0.38
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
LRRK2 Q5S007 2/20 0.36
FEN1 P39748 3/20 0.36
ALOX5AP P20292 2/20 0.36
MKNK2 Q9HBH9 1/20 0.35
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CNR2 P34972 1/20 0.34
ATR Q13535 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
IDH1 O75874 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
SCHEMBL3415107 1.00 GRM4 (0.39) GRM4NUDT1GRM5LOXLOXL2
SCHEMBL16667809 0.91 LRRK2 (0.43) GRM4NUDT1GRM5LRRK2AKT1
SCHEMBL3416856 0.91 LRRK2 (0.43) GRM4NUDT1GRM5LRRK2AKT1
SCHEMBL3416862 0.91 LRRK2 (0.43) GRM4NUDT1GRM5LRRK2AKT1
SCHEMBL3411667 0.85 NUDT1 (0.44) NUDT1LOXLOXL2FEN1ALOX5AP
SCHEMBL22834492 0.83 LOX (0.46) NUDT1LOXLOXL2LRRK2FEN1
SCHEMBL18072495 0.83 LOX (0.50) NUDT1LOXLOXL2LRRK2FEN1
SCHEMBL18072381 0.82 HDAC6 (0.44) GRM4NUDT1LOXLOXL2LRRK2
SCHEMBL31403582 0.82 LOX (0.53) NUDT1LOXLOXL2LRRK2FEN1
SCHEMBL24441036 0.80 NUDT1 (0.47) NUDT1LOXLOXL2FEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 WO claimed