SCHEMBL21486178

SCHEMBL21486178

COc1c(C(C)Nc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.57
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40

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
SCHEMBL9929108 0.91 PIK3CD (0.61) PIK3CDAXLMERTK
SCHEMBL21486181 0.90 PIK3CD (0.53) PIK3CDAXLMERTK
SCHEMBL9928985 0.90 PIK3CD (0.61) PIK3CDAXLMERTK
SCHEMBL9929355 0.89 PIK3CD (0.58) PIK3CDAXLMERTK
SCHEMBL9929104 0.89 PIK3CD (0.57) PIK3CDAXLMERTK
SCHEMBL9929041 0.87 PIK3CD (0.57) PIK3CDAXLMERTK
SCHEMBL9928986 0.87 PIK3CD (0.57) PIK3CDAXLMERTK
SCHEMBL9929468 0.87 PIK3CD (0.57) PIK3CDAXLMERTK
SCHEMBL9929341 0.86 PIK3CD (0.57) PIK3CDAXLMERTK
SCHEMBL9929312 0.86 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