SCHEMBL9952091

SCHEMBL9952091

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1ccc(C(=O)NC2CCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.38
CNR2 P34972 10/20 0.38
PIK3CD O00329 2/20 0.34
RIPK2 O43353 2/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
BRD4 O60885 1/20 0.33
TTK P33981 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
SCHEMBL9954226 0.89 PIK3CD (0.36) PIK3CDMTORBRD4
SCHEMBL9953812 0.89 PIK3CD (0.37) PIK3CD
SCHEMBL9952281 0.87 CYP1A2 (0.37) PIK3CDPIK3CAMTOR
SCHEMBL21986430 0.86 MTOR (0.38) PIK3CDPIK3CAMTOR
SCHEMBL9952369 0.86 FYN (0.39) PIK3CDTTK
SCHEMBL9928776 0.85 PIK3CD (0.48) CNR1CNR2PIK3CDBRD4
SCHEMBL9953050 0.84 PIK3CD (0.39) PIK3CD
SCHEMBL9952102 0.84 PIK3CD (0.37) PIK3CD
SCHEMBL21986437 0.84 LRRK2 (0.39) PIK3CAMTOR
SCHEMBL9952628 0.83 PIK3CD (0.38) PIK3CDPIK3CAMTORBRD4

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