SCHEMBL9952111

SCHEMBL9952111

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1cccc(NC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
MELK Q14680 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
BRAF P15056 6/20 0.36
PIK3CD O00329 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
EGFR P00533 2/20 0.35
FYN P06241 4/20 0.35
RAF1 P04049 1/20 0.35
MAP4K4 O95819 1/20 0.35
BTK Q06187 1/20 0.34
USP7 Q93009 1/20 0.34
STK17B O94768 1/20 0.34

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
SCHEMBL9952996 0.87 STK4 (0.38) JAK3MAPTMEN1ALDH1A1MAPK1
SCHEMBL9952040 0.86 CYP1A2 (0.44) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL21986432 0.86 PIK3CD (0.37) MAPTMEN1MAPK1KMT2APIK3CD
SCHEMBL9952881 0.86 PIK3CD (0.42) JAK3MAPTMEN1KMT2APIK3CD
SCHEMBL9953158 0.84 CYP1A2 (0.39) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL9953762 0.83 CYP1A2 (0.45) MEN1ALDH1A1MAPK1KMT2APIK3CD
SCHEMBL9952453 0.83 PIK3CD (0.42) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL9953317 0.82 PTGDR (0.37) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL9952628 0.82 PIK3CD (0.38) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL9929383 0.82 PIK3CD (0.51) JAK3MELKPIK3CDEGFRMAP4K4

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