SCHEMBL2738591

SCHEMBL2738591

COCCNC[C@@H](C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
CNR2 P34972 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL684413 0.87 AKT1 (0.46) AKT1AKT2AKT3L3MBTL1ALDH1A1
SCHEMBL679637 0.85 AKT1 (0.45) AKT1AKT2AKT3L3MBTL1ALDH1A1
SCHEMBL681573 0.82 L3MBTL1 (0.43) AKT1AKT2AKT3L3MBTL1ALDH1A1
SCHEMBL2738661 0.81 CYP2C9 (0.39) L3MBTL1CNR2CYP1A2THRB
SCHEMBL2738478 0.81 AKT1 (0.42) AKT1AKT2AKT3L3MBTL1CNR2
SCHEMBL10257267 0.81 FFAR2 (0.41) AKT2AKT3L3MBTL1POLBCNR2
SCHEMBL2738463 0.80 L3MBTL1 (0.46) L3MBTL1ALDH1A1POLBCNR2
SCHEMBL2738682 0.77 SLC6A4 (0.39) L3MBTL1POLBCNR2
SCHEMBL2738877 0.76 SLC6A4 (0.48) L3MBTL1POLBCNR2
SCHEMBL22622613 0.76 KDM4E (0.43) AKT1AKT2AKT3L3MBTL1ALDH1A1

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-2966065-A2 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-01-13 EP disclosed
EP-2402325-B1 Hydroxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-08-26 EP 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-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 EP disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed