SCHEMBL4024843

SCHEMBL4024843

CCc1cn(-c2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.66
MTOR P42345 12/20 0.66
ATR Q13535 4/20 0.51
PRKDC P78527 1/20 0.51
PIK3R1 P27986 1/20 0.51
PIK3CD O00329 6/20 0.47
PIK3CB P42338 5/20 0.47
PIK3CG P48736 5/20 0.47
PARP1 P09874 1/20 0.46

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
SCHEMBL4483289 0.91 PIK3CA (0.59) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8003310 0.89 PIK3CA (0.62) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL7999982 0.88 PIK3CA (0.56) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8008797 0.87 PIK3CA (0.55) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8008913 0.85 PIK3CA (0.59) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8010505 0.85 PIK3CA (0.53) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8012713 0.84 PIK3CA (0.57) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL1309409 0.84 PIK3CA (0.70) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL4023502 0.83 PIK3CA (0.56) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL4455822 0.83 PIK3CA (0.56) PIK3CAMTORATRPRKDCPIK3R1

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
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed