SCHEMBL6584081

SCHEMBL6584081

Cc1[nH]c(CN2CCOCC2)nc1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CXCR4 P61073 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.35
▸ CYP2A13 Q16696 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3C2B O00750 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL6586952 0.81 LMNA (0.39) HPGDLMNAGAAALDH1A1HSD17B10
SCHEMBL11377645 0.68 DRD2 (0.40) HPGDLMNAGAAALDH1A1HSD17B10
SCHEMBL1078868 0.64 HPGD (0.42) HPGDGAAALDH1A1HSD17B10L3MBTL1
SCHEMBL4705472 0.63 PDE8B (0.43) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL15391995 0.62 HRH3 (0.67) HPGDLMNAALDH1A1HSD17B10KDM4E
SCHEMBL13847837 0.62 TYMP (0.49) HPGDLMNAGAAALDH1A1HSD17B10
SCHEMBL6281444 0.62 AR (0.49) GAAALDH1A1KDM4EMAPTPIK3CD
SCHEMBL2026474 0.62 HPGD (1.00) HPGDGAAALDH1A1HSD17B10L3MBTL1
SCHEMBL24476464 0.61 ALDH1A1 (0.41) HPGDLMNAGAAALDH1A1HSD17B10
SCHEMBL23927478 0.61 ALDH1A1 (0.48) HPGDLMNAGAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 — — EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 — — WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 — — EP disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 — — WO disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 — — WO disclosed
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