SCHEMBL6626799

SCHEMBL6626799

CN(C)C1CCCN1c1cc(OC2CCOCC2)c2c(=O)[nH]cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
LRRK2 Q5S007 10/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
BRD4 O60885 1/20 0.31
ATM Q13315 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL4033516 0.82 SYK (0.39) SYKPIK3CAPIK3CDPIK3CBLRRK2
SCHEMBL6626794 0.78 SYK (0.34) SYKPIK3CAPIK3CDPIK3CBLRRK2
SCHEMBL18128950 0.78 PIK3CD (0.39) SYKPIK3CAPIK3CDPIK3CBLRRK2
SCHEMBL18128959 0.78 SYK (0.42) SYKPIK3CAPIK3CDPIK3CBLRRK2
SCHEMBL1015994 0.75 EGFR (0.48) LRRK2
SCHEMBL16747780 0.75 PIK3CD (0.39) SYKPIK3CAPIK3CDPIK3CBLRRK2
SCHEMBL3193077 0.74 LRRK2 (0.41) SYKPIK3CAPIK3CDPIK3CBLRRK2
SCHEMBL3275587 0.74 LRRK2 (0.41) SYKPIK3CAPIK3CDPIK3CBLRRK2
SCHEMBL21187302 0.74 PIK3CA (0.49) SYKPIK3CAPIK3CDPIK3CB
SCHEMBL21177857 0.74 PIK3CA (0.49) SYKPIK3CAPIK3CDPIK3CB

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-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed