SCHEMBL21486181

SCHEMBL21486181

COc1c(C(C)Nc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1c[c]ccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.53
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
BCL2 P10415 1/20 0.34
PIK3CG P48736 2/20 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
SCHEMBL21486178 0.90 PIK3CD (0.57) PIK3CDAXLMERTK
SCHEMBL9929227 0.88 PIK3CD (0.55) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL9929257 0.87 PIK3CD (0.54) PIK3CDAXLMERTKBCL2
SCHEMBL9929108 0.87 PIK3CD (0.61) PIK3CDAXLMERTK
SCHEMBL9929355 0.86 PIK3CD (0.58) PIK3CDAXLMERTK
SCHEMBL9929153 0.86 PIK3CD (0.55) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL9928985 0.86 PIK3CD (0.61) PIK3CDAXLMERTK
SCHEMBL9929055 0.86 PIK3CD (0.58) PIK3CDAXLMERTK
SCHEMBL9929575 0.86 PIK3CD (0.51) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL9929041 0.85 PIK3CD (0.57) PIK3CDAXLMERTK

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 3 patents. 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 claimed
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed