SCHEMBL9952996

SCHEMBL9952996

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 2/20 0.38
STK3 Q13188 2/20 0.38
LRRK2 Q5S007 1/20 0.38
PIK3CD O00329 4/20 0.38
PDE5A O76074 1/20 0.36
LMNA P02545 6/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 4/20 0.35
USP2 O75604 3/20 0.35
HIF1A Q16665 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
TSHR P16473 4/20 0.35

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
SCHEMBL9952040 0.92 CYP1A2 (0.44) PIK3CDPDE5ALMNACYP1A2CYP3A4
SCHEMBL9952881 0.91 PIK3CD (0.42) LRRK2PIK3CDLMNACYP1A2CYP3A4
SCHEMBL9952453 0.90 PIK3CD (0.42) PIK3CDPDE5ALMNACYP1A2CYP3A4
SCHEMBL9953158 0.90 CYP1A2 (0.39) PIK3CDLMNACYP1A2CYP3A4CYP2D6
SCHEMBL9953762 0.89 CYP1A2 (0.45) LRRK2PIK3CDLMNACYP1A2CYP3A4
SCHEMBL9953317 0.88 PTGDR (0.37) PIK3CDPDE5ALMNACYP1A2CYP3A4
SCHEMBL9952100 0.88 PIK3CD (0.42) PIK3CDPDE5ALMNACYP1A2CYP3A4
SCHEMBL9954220 0.87 PIK3CD (0.38) PIK3CDPDE5ALMNACYP1A2CYP3A4
SCHEMBL9952111 0.87 JAK3 (0.38) PIK3CDMEN1KMT2AMAPTMAPK1
SCHEMBL9953050 0.87 PIK3CD (0.39) PIK3CDPDE5ALMNACYP1A2CYP3A4

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 4 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 claimed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO claimed
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