SCHEMBL2739003

SCHEMBL2739003

COc1ccc(C(CNC(C)C)C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.51
ADRB1 P08588 3/20 0.51
ADRB3 P13945 2/20 0.51
AOC3 Q16853 1/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CNR1 P21554 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
ALOX5 P09917 1/20 0.44

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
SCHEMBL12104118 0.86 ADRB2 (0.52) ADRB2ADRB1ADRB3AOC3CYP1A2
SCHEMBL12167817 0.85 ADRB2 (0.51) ADRB2ADRB1ADRB3AOC3MEN1
SCHEMBL10258492 0.84 ADRB2 (0.50) ADRB2ADRB1ADRB3AOC3CNR1
SCHEMBL2738508 0.83 EPHX1 (0.48) ADRB2ADRB1LMNATDP1CNR1
SCHEMBL2739001 0.83 ADRB2 (0.47) ADRB2ADRB1ADRB3LMNATDP1
SCHEMBL681559 0.82 ADRB2 (0.48) ADRB2ADRB1ADRB3AOC3MEN1
SCHEMBL2738438 0.81 ALOX5 (0.45) ADRB2ADRB1LMNATDP1CNR1
SCHEMBL2738632 0.81 L3MBTL1 (0.43) ADRB2TDP1KDM4EBLMMEN1
SCHEMBL2738514 0.81 ALOX5 (0.45) ADRB2ADRB1LMNATDP1CNR1
SCHEMBL8224207 0.81 L3MBTL1 (0.43) ADRB2TDP1KDM4EBLMMEN1

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-2966065-A2 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-01-13 EP disclosed
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 EP disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 EP disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed
EP-2049500-B1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-07 EP disclosed
EP-2049546-B1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2010-12-29 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed
WO-2008006025-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed