SCHEMBL7511894

SCHEMBL7511894

Cc1ccc(-c2[nH]nc3ncnc(C(C)(C)CN)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.61
PIK3CA P42336 18/20 0.61
PIK3CB P42338 18/20 0.61
PIK3CG P48736 18/20 0.61
PRKDC P78527 18/20 0.61
ABL1 P00519 6/20 0.45
SRC P12931 6/20 0.45
HCK P08631 4/20 0.43
KDR P35968 4/20 0.43
MTOR P42345 4/20 0.43
EPHB4 P54760 4/20 0.43
PI4KB Q9UBF8 4/20 0.43
EGFR P00533 4/20 0.43
NUDT14 O95848 1/20 0.41
NUDT5 Q9UKK9 1/20 0.41
CDK1 P06493 1/20 0.36
PRKCA P17252 1/20 0.36

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
SCHEMBL6055347 0.89 ABL1 (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7515828 0.88 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21806882 0.75 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21806817 0.73 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5748864 0.64 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28960379 0.62 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387566 0.62 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8325826 0.59 ABL1 (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8025214 0.58 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8350486 0.57 TAAR1 (0.62)

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-20020016976-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY 2002-02-07 US disclosed