SCHEMBL3663646

SCHEMBL3663646

CCCCOC(=O)N1CCN(c2ncnc3c2C(C)CC3=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
IDE P14735 1/20 0.38
HIF1A Q16665 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HTT P42858 2/20 0.38
GALR2 O43603 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
OPRD1 P41143 1/20 0.36

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
SCHEMBL192015 0.82 KIT (0.48) MAPTLMNAALDH1A1GPR119OPRD1
SCHEMBL192014 0.82 KIT (0.48) MAPTLMNAALDH1A1GPR119OPRD1
SCHEMBL926142 0.80 AKT1 (0.39) KMT2AMEN1ALDH1A1KDM4EAKT3
SCHEMBL3663311 0.80 AKT1 (0.54) AKT3AKT1AKT2
SCHEMBL3123863 0.78 AKT1 (0.52) MAPTSMN1; SMN2TSHRRXFP1KMT2A
SCHEMBL3128363 0.77 AKT1 (0.41) MAPTSMN1; SMN2TSHRRXFP1KMT2A
SCHEMBL30297596 0.76 MAPT (0.52) MAPTSMN1; SMN2TSHRRXFP1KMT2A
SCHEMBL12194049 0.75 HRH4 (0.41) SMN1; SMN2TSHRKMT2ALMNAMEN1
SCHEMBL30297571 0.74 MAPT (0.50) MAPTSMN1; SMN2TSHRRXFP1KMT2A
SCHEMBL16488552 0.73 JAK2 (0.39) MAPTSMN1; SMN2TSHRRXFP1KMT2A

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-2240455-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089453-A9 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2009-11-05 WO disclosed
WO-2009089453-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed
EP-2049500-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 EP disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed