SCHEMBL8965591

SCHEMBL8965591

COC(=O)Nc1cn2nc(OCc3cc(OC)ccc3OC)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.43
RIPK1 Q13546 3/20 0.43
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
KDR P35968 4/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CG P48736 3/20 0.39
MAPT P10636 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
MET P08581 1/20 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
SCHEMBL8965599 0.93 KDM4E (0.46) PIK3CARIPK1HSD17B10KDM4ESGMS2
SCHEMBL9373851 0.92 RIPK1 (0.46) PIK3CARIPK1HSD17B10KDM4ESGMS2
SCHEMBL8965635 0.91 KDM4E (0.41) PIK3CARIPK1HSD17B10KDM4ESGMS2
SCHEMBL8965537 0.87 RIPK1 (0.43) PIK3CARIPK1KDRPIK3CDPIK3CG
SCHEMBL8965899 0.84 KDR (0.40) PIK3CARIPK1KDM4EKDRPIK3CG
SCHEMBL8965609 0.83 KDR (0.46) RIPK1KDRPIK3CG
SCHEMBL8965590 0.83 PIK3CA (0.45) PIK3CARIPK1KDRPIK3CDPIK3CG
SCHEMBL8966197 0.82 PIK3CA (0.41) PIK3CARIPK1KDRPIK3CDPIK3CG
SCHEMBL8965615 0.81 RIPK1 (0.41) PIK3CARIPK1KDM4EKDRCSNK1D
SCHEMBL8965977 0.80 PIK3CA (0.44) PIK3CARIPK1KDM4EKDRPIK3CD

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 7 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-5371219-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1994-12-06 US disclosed
EP-0305093-B1 Imidazo(1,2-b)pyridazine derivatives WELLCOME FOUND (GB) 1994-04-06 EP 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