SCHEMBL9952243

SCHEMBL9952243

COc1c(CCNC(=O)O)cc(Cl)c(C)c1CC(O)NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.36
SLC2A1 P11166 1/20 0.35
SHMT2 P34897 1/20 0.34
MTNR1A P48039 5/20 0.32
MTNR1B P49286 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
SLC6A4 P31645 1/20 0.32
THPO P40225 1/20 0.32
HTR2B P41595 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL9952391 0.82 SLC2A1 (0.34) IMPDH2SLC2A1SHMT2MTNR1AMTNR1B
SCHEMBL9952238 0.77 ADRB2 (0.36) IMPDH2SLC2A1SHMT2CYP1A2CYP2D6
SCHEMBL9952473 0.76 IMPDH2 (0.41) IMPDH2SLC2A1SHMT2MTNR1AMTNR1B
SCHEMBL9952754 0.75 IMPDH2 (0.42) IMPDH2SLC2A1SHMT2MTNR1AMTNR1B
SCHEMBL9952389 0.71 SLC2A1 (0.34) IMPDH2SLC2A1SHMT2ALDH1A1
SCHEMBL9952992 0.70 IMPDH2 (0.37) IMPDH2SLC2A1SHMT2MTNR1AMTNR1B
SCHEMBL20446650 0.68 SHMT2 (0.52) SHMT2MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL9952863 0.66 MTNR1A (0.38) IMPDH2SLC2A1SHMT2MTNR1AMTNR1B
SCHEMBL9953035 0.65 HIF1A (0.38) IMPDH2SLC2A1HIF1AMAPT
SCHEMBL9952618 0.65 P2RX7 (0.37) IMPDH2SLC2A1SHMT2KMT2AALDH1A1

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-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed