SCHEMBL2738579

SCHEMBL2738579

CC(C)NCC(C(N)=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KIF11 P52732 1/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
CYP3A4 P08684 1/20 0.38
GSK3B P49841 1/20 0.38
AKT1 P31749 1/20 0.38
EPHX1 P07099 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
SCHEMBL2738513 1.00 CNR2 (0.42) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL12188333 0.87 PSEN1 (0.41) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL684568 0.87 PSEN1 (0.41) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL681195 0.85 PSEN1 (0.40) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2739076 0.85 EPHX1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL679682 0.85 PSEN1 (0.40) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL14287982 0.84 MEN1 (0.40) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL12219558 0.84 LMNA (0.40) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL12167830 0.83 ADRB2 (0.48) CYP3A4
SCHEMBL681594 0.82 CA1 (0.38) CNR2PSEN1PSEN2APH1BNCSTN

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 6 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
EP-2049500-B1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-07 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