SCHEMBL3653262

SCHEMBL3653262

CC(C)(C)OC(=O)NCCC(NC(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
THRB P10828 1/20 0.45
POLB P06746 2/20 0.43
P2RY2 P41231 1/20 0.43
GAA P10253 2/20 0.42
IDO1 P14902 2/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
UBE2N P61088 1/20 0.39
PPARG P37231 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
SCHEMBL387775 0.90 P2RY2 (0.45) DRD2THRBP2RY2GAAMAPT
SCHEMBL3653772 0.89 DRD2 (0.46) DRD2P2RY2GAAIDO1LMNA
SCHEMBL3653871 0.86 DRD2 (0.47) DRD2P2RY2GAAIDO1LMNA
SCHEMBL390470 0.84 P2RY2 (0.46) DRD2P2RY2GAAMAPTALDH1A1
SCHEMBL3658569 0.83 FAAH (0.47) DRD2MAPTUTS2R
SCHEMBL3652339 0.82 DRD2 (0.48) DRD2P2RY2GAAIDO1LMNA
SCHEMBL12561305 0.82 KMT2A (0.49) DRD2P2RY2GAAIDO1LMNA
SCHEMBL12560853 0.82 KMT2A (0.49) DRD2P2RY2GAAIDO1LMNA
SCHEMBL3657995 0.82 DRD2 (0.44) DRD2GAAIDO1LMNAKMT2A
SCHEMBL391098 0.81 P2RY2 (0.47) P2RY2GAALMNAMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201012-A1 PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS AstraZeneca AB (SE) 2010-06-30 EP disclosed
WO-2009047563-A1 PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed