SCHEMBL2739147

SCHEMBL2739147

NC(=O)[C@H](N)Cc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
DPP7 Q9UHL4 1/20 0.46
SLC7A5 Q01650 3/20 0.45
PTGS1 P23219 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ALOX15 P16050 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKT1 P31749 2/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43

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
SCHEMBL18511375 1.00 DPP4 (0.48) DPP4DPP7SLC7A5PTGS1KDM4E
SCHEMBL18492879 1.00 DPP4 (0.48) DPP4DPP7SLC7A5PTGS1KDM4E
SCHEMBL29481457 0.86 SLC7A5 (0.62) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL1613644 0.86 SLC7A5 (0.62) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL29478416 0.86 SLC7A5 (0.62) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL18511382 0.86 SLC7A5 (0.62) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL44052 0.86 SLC7A5 (0.62) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL12104028 0.86 DPP4 (0.48) DPP4DPP7SLC7A5PTGS1KDM4E
SCHEMBL14355719 0.86 DPP4 (0.48) DPP4DPP7SLC7A5PTGS1KDM4E
SCHEMBL44051 0.86 SLC7A5 (0.62) SLC7A5PTGS1KDM4EUSP2EGFR

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-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-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed