SCHEMBL8966239

SCHEMBL8966239

COC(=O)Nc1cn2nc(OCCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
RIPK1 Q13546 2/20 0.38
KDR P35968 5/20 0.38
CSNK1D P48730 5/20 0.38
CSNK1E P49674 4/20 0.38

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
SCHEMBL8965590 0.90 PIK3CA (0.45) PIK3CAKMT2AMEN1PIK3CDPIK3CG
SCHEMBL8965972 0.85 PIK3CA (0.46) PIK3CAKMT2AMEN1PIK3CDPIK3CG
SCHEMBL8965585 0.85 PIK3CA (0.43) PIK3CAKMT2AMEN1PIK3CDPIK3CG
SCHEMBL8965977 0.83 PIK3CA (0.44) PIK3CAKMT2APIK3CDPIK3CGRIPK1
SCHEMBL8965525 0.83 PIK3CA (0.41) PIK3CAPIK3CDPIK3CGRIPK1KDR
SCHEMBL8966365 0.83 PIK3CA (0.41) PIK3CAKMT2AMEN1PIK3CDPIK3CG
SCHEMBL8965644 0.82 PIK3CA (0.42) PIK3CAKMT2ARIPK1KDRCSNK1D
SCHEMBL8965523 0.82 PIK3CA (0.47) PIK3CAPIK3CDPIK3CGRIPK1KDR
SCHEMBL8965909 0.82 PIK3CA (0.42) PIK3CAPIK3CDPIK3CGRIPK1KDR
SCHEMBL8965653 0.81 KDR (0.41) PIK3CAKDRCSNK1D

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 5 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
US-5380759-A Methyl N-[6-(3,4,5-trimethoxybenzloxy)imidazo[1,2-b]pyridazin-2-zyl]carbamate used to treat leukemia BURROUGHS WELLCOME CO. (US) 1995-01-10 US disclosed
US-5091531-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1992-02-25 US disclosed
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed