SCHEMBL21486197

SCHEMBL21486197

CCNC=O.CCOc1c(C(C)Nc2ncnc3[nH]cnc23)cc(Cl)c(C#N)c1-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.41
PIK3CG P48736 5/20 0.41
PIK3R2 O00459 4/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
BCL2 P10415 1/20 0.38
PIK3CB P42338 3/20 0.34
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 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
SCHEMBL9928864 0.80 PIK3CD (0.41) PIK3CDPIK3CGPIK3R2AXLMERTK
SCHEMBL9929484 0.79 PIK3CD (0.50) PIK3CDPIK3CGPIK3R2AXLMERTK
Trifluoroacetic Acid SCHEMBL9928812 0.76 PIK3CD (0.39) PIK3CDPIK3CGPIK3R2AXLMERTK
Trifluoroacetic Acid SCHEMBL9929324 0.75 PIK3CD (0.47) PIK3CDPIK3CGAXLMERTKBCL2
SCHEMBL9929003 0.73 PIK3CD (0.55) PIK3CDPIK3CGPIK3R2AXLMERTK
SCHEMBL9929305 0.73 PIK3CD (0.43) PIK3CDPIK3R2AXLMERTKBCL2
SCHEMBL9929351 0.71 PIK3CD (0.44) PIK3CDPIK3CGAXLMERTKBCL2
SCHEMBL9929054 0.71 PIK3CD (0.43) PIK3CDPIK3R2AXLMERTKBCL2
SCHEMBL9928901 0.70 PIK3CD (0.53) PIK3CDPIK3CGPIK3R2AXLMERTK
SCHEMBL10278955 0.70 PIK3CD (0.38) PIK3CDAXLMERTKBCL2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed