SCHEMBL8965975

SCHEMBL8965975

COCCOCOc1c(OC)cc(COc2ccc3nc(NC(=O)OC)cn3n2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.45
KDR P35968 10/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
MET P08581 1/20 0.36
RIPK1 Q13546 3/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL9373499 0.93 PIK3CA (0.47) PIK3CAKDRPIK3CDPIK3CGMET
SCHEMBL8965590 0.89 PIK3CA (0.45) PIK3CAKDRPIK3CDPIK3CGMET
SCHEMBL8965977 0.88 PIK3CA (0.44) PIK3CAKDRPIK3CDPIK3CGMET
SCHEMBL8965972 0.87 PIK3CA (0.46) PIK3CAKDRPIK3CDPIK3CGMET
SCHEMBL8965978 0.85 PIK3CA (0.40) PIK3CAKDRPIK3CDPIK3CGMET
SCHEMBL8965640 0.82 KDR (0.44) PIK3CAKDRPIK3CDPIK3CGMET
SCHEMBL8966365 0.82 PIK3CA (0.41) PIK3CAKDRPIK3CDPIK3CGRIPK1
SCHEMBL8965525 0.82 PIK3CA (0.41) PIK3CAKDRPIK3CDPIK3CGRIPK1
SCHEMBL8965644 0.81 PIK3CA (0.42) PIK3CAKDRMETRIPK1
SCHEMBL8966239 0.81 PIK3CA (0.43) PIK3CAKDRPIK3CDPIK3CGRIPK1

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
US-5538970-A Treatment of cancer with imidazo-1,2-pyridazin compounds GLAXO WELLCOME INC. (US) 1996-07-23 US disclosed
US-5447956-A Anticarcinogenic agents BURROUGHS WELLCOME CO. (US) 1995-09-05 US disclosed