SCHEMBL6586952

SCHEMBL6586952

Cc1[nH]c(CN2CCOCC2)nc1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ BAZ2A Q9UIF9 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CXCR4 P61073 1/20 0.31
▸ BRAF P15056 1/20 0.31

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
SCHEMBL6584081 0.81 HPGD (0.45) LMNAGAAHPGDALDH1A1HSD17B10
SCHEMBL5736393 0.68 DUT (0.34) —
SCHEMBL3743319 0.64 CYP3A4 (0.37) ALDH1A1HSD17B10CNR2
SCHEMBL24915271 0.63 CXCR4 (0.68) HPGDALDH1A1KDM4EALOX15CXCR4
SCHEMBL26975134 0.62 SMN1; SMN2 (0.35) LMNAGAAHPGDALDH1A1KDM4E
SCHEMBL26998850 0.62 TDP1 (0.41) LMNAALDH1A1L3MBTL1
SCHEMBL11377645 0.62 DRD2 (0.40) LMNAGAAHPGDALDH1A1HSD17B10
SCHEMBL27316051 0.61 DUT (0.33) —
SCHEMBL6740861 0.61 HRH4 (0.50) L3MBTL1
SCHEMBL18641445 0.60 SMN1; SMN2 (0.43) LMNAGAAALDH1A1ALOX15CNR2

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
Send feedback