SCHEMBL9952952

SCHEMBL9952952

COc1c(CCN)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.36
SUV39H2 Q9H5I1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
USP30 Q70CQ3 1/20 0.34
NR1H2 P55055 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15995172 0.91 PDE4B (0.37) PDE4BSUV39H2MEN1KMT2AEHMT2
SCHEMBL9952096 0.91 PDE4B (0.36) PDE4BSUV39H2MEN1KMT2ADPP4
SCHEMBL9953060 0.90 MAPT (0.42) MEN1KMT2ADPP4ALDH1A1TP53
SCHEMBL9952338 0.89 DPP4 (0.38) PDE4BSUV39H2DPP4EHMT2USP30
SCHEMBL9952761 0.86 IMPDH2 (0.37) MEN1KMT2AALDH1A1KDM4E
SCHEMBL9952815 0.82 PDE4B (0.41) PDE4BMEN1KMT2AALDH1A1TP53
SCHEMBL15996135 0.81 PDE4B (0.38) PDE4BMEN1KMT2AEHMT2NR1H2
SCHEMBL9928783 0.81 MEN1 (0.38) PDE4BMEN1KMT2AEHMT2TP53
SCHEMBL9929084 0.80 PIK3CD (0.43) PDE4BMEN1KMT2AEHMT2
SCHEMBL15995150 0.80 KAT5 (0.37) PDE4BDPP4EHMT2USP30NR1H2

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