SCHEMBL8965599

SCHEMBL8965599

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RIPK1 Q13546 4/20 0.42
RAB9A P51151 2/20 0.41
PIK3CA P42336 3/20 0.41
KDR P35968 4/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.38
SGMS2 Q8NHU3 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
SCHEMBL8965635 0.93 KDM4E (0.41) KDM4EKMT2AL3MBTL1RIPK1PIK3CA
SCHEMBL8965591 0.93 PIK3CA (0.43) KDM4ERIPK1PIK3CAKDRRPS6KB1
SCHEMBL9373851 0.91 RIPK1 (0.46) KDM4ERIPK1PIK3CAKDRHSD17B10
SCHEMBL8965644 0.84 PIK3CA (0.42) KDM4EKMT2AL3MBTL1RIPK1RAB9A
SCHEMBL8965537 0.80 RIPK1 (0.43) RIPK1PIK3CAKDR
SCHEMBL8966340 0.79 CSNK1D (0.52) KDM4EKMT2AL3MBTL1RIPK1RAB9A
SCHEMBL8965589 0.79 ALDH1A1 (0.46) KDM4EKMT2AL3MBTL1RAB9APIK3CA
SCHEMBL9369008 0.78 PIK3CA (0.45) RIPK1PIK3CA
SCHEMBL8965653 0.78 KDR (0.41) KDM4EL3MBTL1PIK3CAKDRHSD17B10
SCHEMBL8965977 0.77 PIK3CA (0.44) KDM4EKMT2AL3MBTL1RIPK1PIK3CA

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