SCHEMBL8965973

SCHEMBL8965973

CCOC(OC)Oc1c(OC)cc(COc2ccc3nc(NC(=O)OC)cn3n2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.39
KDR P35968 8/20 0.35
KDM4E B2RXH2 2/20 0.34
RIPK1 Q13546 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CG P48736 2/20 0.34
CSNK1D P48730 1/20 0.33
MET P08581 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9373480 0.93 PIK3CA (0.40) PIK3CAKDRKDM4ERIPK1PIK3CD
SCHEMBL8965977 0.88 PIK3CA (0.44) PIK3CAKDRKDM4ERIPK1PIK3CD
SCHEMBL8965590 0.86 PIK3CA (0.45) PIK3CAKDRRIPK1PIK3CDPIK3CG
SCHEMBL8965978 0.84 PIK3CA (0.40) PIK3CAKDRRIPK1PIK3CDPIK3CG
SCHEMBL8965644 0.83 PIK3CA (0.42) PIK3CAKDRKDM4ERIPK1CSNK1D
SCHEMBL9369315 0.80 PIK3CA (0.46) PIK3CAKDRKDM4ERIPK1PIK3CD
SCHEMBL8965975 0.80 PIK3CA (0.45) PIK3CAKDRRIPK1PIK3CDPIK3CG
SCHEMBL8965640 0.80 KDR (0.44) PIK3CAKDRKDM4EPIK3CDPIK3CG
SCHEMBL8965525 0.80 PIK3CA (0.41) PIK3CAKDRKDM4ERIPK1PIK3CD
SCHEMBL8965523 0.79 PIK3CA (0.47) PIK3CAKDRRIPK1PIK3CDPIK3CG

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