SCHEMBL5748864

SCHEMBL5748864

Cc1ccc(-c2[nH]nc3nc(C(C)(C)C)nc(N)c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.58
PIK3CA P42336 11/20 0.58
PIK3CB P42338 11/20 0.58
PIK3CG P48736 11/20 0.58
PRKDC P78527 11/20 0.58
ABL1 P00519 3/20 0.42
SRC P12931 3/20 0.42
EGFR P00533 2/20 0.40
HCK P08631 2/20 0.40
KDR P35968 2/20 0.40
MTOR P42345 2/20 0.40
EPHB4 P54760 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NUDT14 O95848 1/20 0.38

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
SCHEMBL1270137 0.88 ABL1 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28960379 0.82 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5748863 0.76 MEN1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28965181 0.68 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28965180 0.67 PIK3CG (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28960377 0.67 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8025214 0.67 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18040265 0.66 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15007608 0.65 BRAF (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7511894 0.64 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-1638966-A2 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO ¬3,4-d| PYRIMIDINE AND PYRROLO ¬2,3-d| PYRIMIDINE AND USES THEREOF UNIVERSITA DEGLI STUDI DI SIENA (IT) 2006-03-29 EP disclosed
WO-2004106340-A2 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO [3,4-d] PYRIMIDINE AND PYRROLO [2,3-d] PYRIMIDINE AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2004-12-09 WO disclosed