SCHEMBL9953147

SCHEMBL9953147

CCOc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C#N)c1C1CNC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.37
AXL P30530 2/20 0.30
MERTK Q12866 2/20 0.30
HTT P42858 1/20 0.30
RPS27 P42677 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
SCHEMBL9952062 0.90 PIK3CD (0.37) PIK3CDAXLMERTK
SCHEMBL9952900 0.88 PIK3CD (0.34) PIK3CDHTT
Trifluoroacetic Acid SCHEMBL9953549 0.84 PIK3CD (0.35) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL9952183 0.82 PIK3CD (0.37) PIK3CDAXLMERTK
SCHEMBL9929305 0.82 PIK3CD (0.43) PIK3CDAXLMERTK
SCHEMBL9953144 0.81 PDE5A (0.35) HTT
SCHEMBL9953231 0.80 PIK3CD (0.36) PIK3CDHTT
SCHEMBL9960484 0.79 PIK3CD (0.35) PIK3CDHTT
SCHEMBL9951931 0.76 PIK3CD (0.31) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL9953150 0.75 PIK3CD (0.33) PIK3CDHTT

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 2 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 disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed