SCHEMBL5738210

SCHEMBL5738210

Cc1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNN4 O15554 3/20 0.31
MAPK1 P28482 1/20 0.30
CDC7 O00311 1/20 0.30
MAP4K4 O95819 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
GSK3B P49841 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL3827052 0.77 KCNN4 (0.33) KCNN4GSK3B
SCHEMBL1484198 0.77 KCNN4 (0.31) KCNN4CDC7MAP4K4PIM1PRKACA
SCHEMBL5240366 0.77 KCNN4 (0.31) KCNN4
SCHEMBL5286108 0.74 ALDH1A1 (0.40) NPSR1
SCHEMBL6821893 0.74 ALDH1A1 (0.37) KCNN4
SCHEMBL7802981 0.73 TSHR (0.30)
SCHEMBL6411394 0.73 NOTUM (0.34) MAPK1CDC7MAP4K4PRKACAGSK3B
SCHEMBL1828996 0.73 KDM4E (0.39)
Hydrochloric Acid SCHEMBL9670896 0.72
SCHEMBL8816412 0.71 NOS2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 EP disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 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-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO disclosed