SCHEMBL9952178

SCHEMBL9952178

CCOc1c(CCN)cc(C)c(C#N)c1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
MAPK8 P45983 2/20 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
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDM4E B2RXH2 3/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL9929127 0.83 PIK3CD (0.47) PIK3CDMAPK8MAPK1DYRK3PRKD3
Hydrochloric Acid SCHEMBL9929064 0.82 PIK3CD (0.46) PIK3CDMAPK8MAPK1DYRK3PRKD3
SCHEMBL9952981 0.80 PIK3CD (0.43) PIK3CD
SCHEMBL17138387 0.79 PIK3CD (0.43) PIK3CDMAPK8MAPK1DYRK3PRKD3
SCHEMBL9952024 0.78 PIK3CD (0.37) PIK3CDPRMT5WDR77CYP11B2CYP2C9
SCHEMBL9929636 0.77 PIK3CD (0.47) PIK3CDMAPK8MAPK1DYRK3PRKD3
Hydrochloric Acid SCHEMBL9953058 0.77 PIK3CD (0.36) PIK3CDPRMT5WDR77CYP11B2CYP2C9
SCHEMBL9951984 0.77 PIK3CD (0.44) PIK3CDMAPK8MAPK1DYRK3PRKD3
SCHEMBL9952919 0.76 PIK3CD (0.41) PIK3CDMAPK8MAPK1DYRK3PRKD3
SCHEMBL9953064 0.74 PIK3CD (0.40) PIK3CDMAPK8MAPK1DYRK3PRKD3

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