SCHEMBL2738577

SCHEMBL2738577

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL2738487 1.00 CNR2 (0.43) CNR2KMT2ANPSR1LMNAL3MBTL1
SCHEMBL8217387 1.00 CNR2 (0.43) CNR2KMT2ANPSR1LMNAL3MBTL1
SCHEMBL684380 0.86 BRD4 (0.46) CNR2KMT2ANPSR1L3MBTL1ADRB2
SCHEMBL684828 0.86 BRD4 (0.46) CNR2KMT2ANPSR1L3MBTL1ADRB2
SCHEMBL684381 0.86 BRD4 (0.46) CNR2KMT2ANPSR1L3MBTL1ADRB2
SCHEMBL2738840 0.84 KMT2A (0.41) CNR2KMT2ALMNAADRB2ADRB1
SCHEMBL681025 0.83 KMT2A (0.42) CNR2KMT2ANPSR1L3MBTL1ADRB2
SCHEMBL681029 0.83 KMT2A (0.42) CNR2KMT2ANPSR1L3MBTL1ADRB2
SCHEMBL190983 0.83 L3MBTL1 (0.55) CNR2KMT2ANPSR1L3MBTL1ADRB2
Potassium Ion SCHEMBL191189 0.83 KMT2A (0.42) CNR2KMT2ANPSR1L3MBTL1ADRB2

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 4 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-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