SCHEMBL9953060

SCHEMBL9953060

COc1c(CCN)cc(Cl)c(C)c1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.40
HTT P42858 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
TP53 P04637 3/20 0.39
STS P08842 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.90 PDE4B (0.36) KDM4EDPP4ALDH1A1EPHX2TP53
SCHEMBL9953742 0.87 PIK3CD (0.35) ALDH1A1
SCHEMBL14736307 0.82 MAPT (0.45) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL9928833 0.81 PIK3CD (0.43) MAPTKDM4ETHRBDPP4ALDH1A1
SCHEMBL9952096 0.81 PDE4B (0.36) KDM4EDPP4ALDH1A1MEN1KMT2A
SCHEMBL15995172 0.81 PDE4B (0.37) KDM4EEPHX2NPBWR1MCHR1MEN1
SCHEMBL14736911 0.80 MAPT (0.46) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL14736678 0.80 MAPT (0.43) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL9952338 0.79 DPP4 (0.38) DPP4
SCHEMBL9952761 0.78 IMPDH2 (0.37) KDM4EALDH1A1MEN1GAAKMT2A

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