SCHEMBL9953175

SCHEMBL9953175

CC[CH]c1cc(Cl)c(C)c(-c2cncc(F)c2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP17A1 P05093 1/20 0.36
PIK3CD O00329 2/20 0.32
TLR7 Q9NYK1 5/20 0.31
NQO2 P16083 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL9953224 0.81 CYP11B1 (0.36) CYP11B1CYP11B2CYP17A1PIK3CDTLR7
SCHEMBL9929182 0.78 PIK3CD (0.39) CYP11B1CYP11B2CYP17A1PIK3CDTLR7
SCHEMBL9953178 0.77 CYP17A1 (0.36) CYP11B1CYP11B2CYP17A1PIK3CDTLR7
Hydrochloric Acid SCHEMBL9928897 0.77 PIK3CD (0.39) CYP11B1CYP11B2CYP17A1PIK3CDTLR7
SCHEMBL9952939 0.75 CYP11B2 (0.34) CYP11B1CYP11B2CYP17A1PIK3CDTLR7
SCHEMBL9929702 0.73 PIK3CD (0.38) PIK3CDTLR7
SCHEMBL21986429 0.69 PIK3CD (0.36) PIK3CDTLR7
SCHEMBL21986428 0.69 PIK3CD (0.34) PIK3CD
SCHEMBL9952344 0.61 PIK3CD (0.36) PIK3CD
SCHEMBL23880069 0.59 PIK3CD (0.35) PIK3CDTLR7

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-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
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