SCHEMBL9951999

SCHEMBL9951999

Cc1c(Cl)cc(CCNc2ncnc3[nH]cnc23)c(-c2cc(F)cc(F)c2)c1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.33
AURKA O14965 2/20 0.33
PDPK1 O15530 1/20 0.33
AURKB Q96GD4 1/20 0.32
PIK3CD O00329 5/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9952164 0.92 PIK3CD (0.41) RPS6KB1AURKAPDPK1AURKBPIK3CD
SCHEMBL9953815 0.83 PIK3CD (0.35) RPS6KB1AURKAPDPK1PIK3CDMEN1
SCHEMBL9953808 0.82 PIK3CD (0.38) PIK3CDAXLMERTKMEN1LMNA
SCHEMBL9954211 0.80 LMNA (0.39) MEN1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL9928873 0.80 PIK3CD (0.45) RPS6KB1PDPK1PIK3CDAXLMERTK
SCHEMBL9952993 0.79 FFAR1 (0.36) HSD17B10
SCHEMBL9953781 0.78 PIK3CD (0.39) PIK3CDAXLMERTK
SCHEMBL2012486 0.76 PIK3CD (0.46) PIK3CDMEN1LMNATSHRHTT
SCHEMBL9952025 0.76 MAP4K4 (0.37) RPS6KB1AURKAPDPK1AURKBLMNA
SCHEMBL9960500 0.76 PIK3CD (0.40) PIK3CDAXLMERTKMEN1KMT2A

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-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP claimed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO claimed
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