SCHEMBL9953064

SCHEMBL9953064

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
MAPK8 P45983 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
DYRK3 O43781 1/20 0.30
PRKD3 O94806 1/20 0.30
JUN P05412 1/20 0.30
CSF1R P07333 1/20 0.30
MAPK1 P28482 1/20 0.30
RPS27 P42677 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
PRKD2 Q9BZL6 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
SCHEMBL9952112 0.91 PIK3CD (0.44) PIK3CDMAPK8
SCHEMBL9929636 0.84 PIK3CD (0.47) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9929127 0.82 PIK3CD (0.47) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9952882 0.81 PIK3CD (0.36) PIK3CDPIK3C3
Hydrochloric Acid SCHEMBL9929064 0.81 PIK3CD (0.46) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL17138387 0.81 PIK3CD (0.43) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9928768 0.75 PIK3CD (0.54) PIK3CDMAPK8KDM4EMAPTKMT2A
SCHEMBL9952178 0.74 PIK3CD (0.42) PIK3CDMAPK8KDM4EMAPTKMT2A
Trifluoroacetic Acid SCHEMBL9928750 0.73 PIK3CD (0.50) PIK3CD
SCHEMBL17138437 0.72 PIK3CD (0.48) PIK3CDMAPK8PIK3C3DYRK3PRKD3

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