SCHEMBL9952919

SCHEMBL9952919

CCOc1[c]cc(C)c(C#N)c1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
MAPK8 P45983 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
MAPK1 P28482 2/20 0.32
DYRK3 O43781 1/20 0.32
PRKD3 O94806 1/20 0.32
JUN P05412 1/20 0.32
CSF1R P07333 1/20 0.32
RPS27 P42677 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL9954216 0.88 PIK3CD (0.44) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9929127 0.76 PIK3CD (0.47) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9952021 0.76 PIK3CG (0.36) PIK3CDPIK3C3PIK3CBPIK3CGGPR55
Hydrochloric Acid SCHEMBL9929064 0.76 PIK3CD (0.46) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9952178 0.76 PIK3CD (0.42) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9929636 0.73 PIK3CD (0.47) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL17138387 0.72 PIK3CD (0.43) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9953064 0.70 PIK3CD (0.40) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9952916 0.68 PIK3CD (0.35) PIK3CDKDM4EMAPTKMT2APIK3C3
SCHEMBL9928768 0.68 PIK3CD (0.54) PIK3CDMAPK8KDM4EMAPTKMT2A

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