SCHEMBL8009768

SCHEMBL8009768

Cc1nc(CO)cn1-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.63
MTOR P42345 11/20 0.63
PIK3R1 P27986 1/20 0.53
ATR Q13535 5/20 0.51
PRKDC P78527 1/20 0.51
PIK3CD O00329 3/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL8008521 0.89 PIK3CA (0.60) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL8008944 0.86 PIK3CA (0.57) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL8010983 0.84 PIK3CA (0.74) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL8010578 0.84 PIK3CA (0.55) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL8001559 0.84 PIK3CA (0.57) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL1309409 0.83 PIK3CA (0.70) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL4483289 0.83 PIK3CA (0.59) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL8003220 0.81 PIK3CA (0.78) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL8008915 0.81 PIK3CA (0.74) PIK3CAMTORPIK3R1ATRPRKDC
SCHEMBL8009131 0.80 PIK3CA (0.71) PIK3CAMTORPIK3R1ATRPRKDC

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