SCHEMBL18307136

SCHEMBL18307136

Ic1ccc(OC2CCOCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
PIK3CA P42336 2/20 0.39
PIK3R1 P27986 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
LRRK2 Q5S007 3/20 0.36
SYK P43405 3/20 0.36
SCN9A Q15858 3/20 0.35
NAMPT P43490 1/20 0.35
TDO2 P48775 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SCN5A Q14524 1/20 0.34
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
P2RX3 P56373 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
SCHEMBL34467391 0.88 FAAH (0.45) FAAHNAMPTTDO2
SCHEMBL22105430 0.84 FAAH (0.43) FAAHNAMPTTDO2
SCHEMBL1644324 0.83 LOX (0.43) FAAHNAMPTTDO2
SCHEMBL29944695 0.80 DGAT1 (0.44) PIK3CAPIK3R1HDAC6LRRK2SYK
SCHEMBL12310665 0.80 SYK (0.46) PIK3CAPIK3R1HDAC6LRRK2SYK
SCHEMBL17559331 0.80 FPR2 (0.44) PIK3CAPIK3R1HDAC6LRRK2SCN9A
SCHEMBL5462184 0.80 TDO2 (0.51) FAAHSYKTDO2
SCHEMBL1738661 0.80 DGAT1 (0.44) PIK3CAPIK3R1HDAC6LRRK2SYK
SCHEMBL3396466 0.80 PIK3CA (0.41) PIK3CAPIK3R1HDAC6LRRK2SYK
SCHEMBL26088700 0.80 PIK3CA (0.39) PIK3CAPIK3R1HDAC6LRRK2SYK

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-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed