SCHEMBL9952574

SCHEMBL9952574

[CH2]Cc1cc(Cl)c(C)c(-c2ccc(C=O)nc2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.33
CYP1A2 P05177 1/20 0.33
IMPDH2 P12268 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9952348 0.91 PIK3CD (0.34) PIK3CDCYP1A2IMPDH2MEN1ALDH1A1
SCHEMBL9952344 0.85 PIK3CD (0.36) PIK3CDCYP1A2MEN1ALDH1A1POLB
SCHEMBL18917317 0.82 HIF1A (0.37) PIK3CDIMPDH2MAPT
SCHEMBL9929333 0.75 PIK3CD (0.44) PIK3CD
SCHEMBL9929196 0.71 PIK3CD (0.42) PIK3CD
SCHEMBL9952363 0.70 IMPDH2 (0.38) PIK3CDIMPDH2POLB
SCHEMBL14742272 0.67 PDE10A (0.37) PIK3CDMEN1MAPTHPGDKMT2A
SCHEMBL14742496 0.67 PIK3CD (0.55) PIK3CD
SCHEMBL14742313 0.67 PIK3CD (0.53) PIK3CD
SCHEMBL14742450 0.67 PDE10A (0.39) PIK3CDMAPTMAPK1

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