SCHEMBL9952096

SCHEMBL9952096

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

nearest known ligand 0.36

Predicted protein targets (top 10)

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

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
SCHEMBL9952952 0.91 PDE4B (0.36) PDE4BDPP4NR1H2EHMT2USP30
SCHEMBL15996135 0.91 PDE4B (0.38) PDE4BNR1H2EHMT2KDM4EMEN1
SCHEMBL9952338 0.90 DPP4 (0.38) PDE4BDPP4EHMT2USP30SUV39H2
SCHEMBL9953121 0.86 TAAR1 (0.35) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15995172 0.81 PDE4B (0.37) PDE4BNR1H2EHMT2SUV39H2KDM4E
SCHEMBL9953060 0.81 MAPT (0.42) DPP4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9929019 0.81 PDE4B (0.38) PDE4BNR1H2EHMT2USP30KDM4E
SCHEMBL15995150 0.80 KAT5 (0.37) PDE4BDPP4NR1H2EHMT2USP30
SCHEMBL9952310 0.80 KAT5 (0.37) PDE4BDPP4NR1H2EHMT2USP30
SCHEMBL9928736 0.80 MC4R (0.36) PDE4BDPP4EHMT2ALDH1A1KDM4E

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