SCHEMBL4623362

SCHEMBL4623362

CNc1cc(CCO)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 14/20 0.44
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
TYK2 P29597 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL4306508 0.85 RECQL (0.52) NR3C2PRKCAPRKCDPRKD1TYK2
SCHEMBL12320308 0.81 NR3C2 (0.43) NR3C2KDM4EALDH1A1ALOX5GAA
SCHEMBL31325755 0.79 NOS2 (0.53) NR3C2KDM4ETYK2
SCHEMBL2056325 0.79 NOS2 (0.53) NR3C2KDM4ETYK2
SCHEMBL3121301 0.78 NR3C2 (0.52) NR3C2
SCHEMBL1979971 0.77 NR3C2 (0.57) NR3C2
SCHEMBL14076711 0.77 PRMT6 (0.43) NR3C2KDM4EMAPTTYK2
SCHEMBL2643260 0.77 NR3C2 (0.36) NR3C2ALDH1A1TYK2
SCHEMBL2643263 0.77 LOXL2 (0.52) NR3C2
SCHEMBL4311098 0.77 TYK2 (0.39) NR3C2TYK2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
WO-2004022567-A1 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed