SCHEMBL9952230

SCHEMBL9952230

Cc1c(Cl)cc(CCNc2ncnc3[nH]cnc23)c(-c2cccc(F)c2)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.56
AXL P30530 1/20 0.56
MERTK Q12866 1/20 0.56
BCL2 P10415 1/20 0.41
MAP4K4 O95819 4/20 0.39
NRP1 O14786 1/20 0.38
PIK3CG P48736 2/20 0.35
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 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
SCHEMBL9953912 0.89 PIK3CD (0.43) PIK3CDAXLMERTKBCL2MAP4K4
SCHEMBL9952164 0.84 PIK3CD (0.41) PIK3CDAXLMERTKMAP4K4PIK3CG
SCHEMBL9952881 0.84 PIK3CD (0.42) PIK3CDAXLMERTKMAP4K4PIK3CG
SCHEMBL9960500 0.84 PIK3CD (0.40) PIK3CDAXLMERTKMAP4K4PIK3CG
SCHEMBL2051140 0.83 PIK3CD (0.45) PIK3CDAXLMERTKBCL2MAP4K4
SCHEMBL9953069 0.82 LMNA (0.42) PIK3CDAXLMERTKMAP4K4CLK4
SCHEMBL9953781 0.82 PIK3CD (0.39) PIK3CDAXLMERTKMAP4K4PIK3CG
SCHEMBL9929688 0.81 PIK3CD (0.78) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL30189005 0.81 PIK3CD (0.78) PIK3CDAXLMERTKBCL2PIK3CG
SCHEMBL2016210 0.80 PIK3CD (0.55) PIK3CDAXLMERTKBCL2MAP4K4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129021-A1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITOR Incyte Corporation (US) 2017-02-15 EP claimed
WO-2015157257-A1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITOR INCYTE CORPORATION (US) 2015-10-15 WO claimed
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-3129021-A1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITOR Incyte Corporation (US) 2017-02-15 EP disclosed
WO-2015157257-A1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITOR INCYTE CORPORATION (US) 2015-10-15 WO disclosed
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