SCHEMBL8975540

SCHEMBL8975540

Nc1ncnc2n[nH]c(-c3cccs3)c12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.60
PIK3CA P42336 18/20 0.60
PIK3CB P42338 18/20 0.60
PIK3CG P48736 18/20 0.60
PRKDC P78527 18/20 0.60
ABL1 P00519 2/20 0.54
SRC P12931 2/20 0.54
NUDT14 O95848 1/20 0.51
NUDT5 Q9UKK9 1/20 0.51
ADK P55263 1/20 0.49
EGFR P00533 1/20 0.47
HCK P08631 1/20 0.47
KDR P35968 1/20 0.47
MTOR P42345 1/20 0.47
EPHB4 P54760 1/20 0.47
PI4KB Q9UBF8 1/20 0.47

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
SCHEMBL8322473 0.82 ABL1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8326897 0.75 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8975546 0.75 ADK (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387566 0.73 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2905037 0.71 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8684518 0.70 ILK (0.50) KDR
SCHEMBL30124898 0.69 STK4 (0.61) ABL1ADKKDR
SCHEMBL18493857 0.68 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14414209 0.67 MAP4K4 (0.63) ABL1ADKKDR
SCHEMBL1850197 0.67 PIK3CD (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 US disclosed