SCHEMBL8965635

SCHEMBL8965635

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK1 Q13546 3/20 0.40
PIK3CA P42336 4/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDR P35968 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37

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) KDM4ERIPK1PIK3CAKDRKMT2A
SCHEMBL8965591 0.91 PIK3CA (0.43) KDM4ERIPK1PIK3CAKDRPIK3CD
SCHEMBL9373851 0.87 RIPK1 (0.46) KDM4ERIPK1PIK3CAKDRPIK3CD
SCHEMBL8965525 0.85 PIK3CA (0.41) KDM4ESMN1; SMN2RIPK1PIK3CAKDR
SCHEMBL8965653 0.81 KDR (0.41) KDM4EPIK3CAKDRL3MBTL1HSD17B10
SCHEMBL8966209 0.81 KDR (0.40) KDM4EPIK3CAKDR
SCHEMBL8965759 0.79 MEN1 (0.40) KDM4ESMN1; SMN2PIK3CAKDRKMT2A
SCHEMBL8965537 0.78 RIPK1 (0.43) SMN1; SMN2RIPK1PIK3CAKDRPIK3CD
SCHEMBL8965972 0.78 PIK3CA (0.46) SMN1; SMN2RIPK1PIK3CAKDRPIK3CD
SCHEMBL8966365 0.78 PIK3CA (0.41) SMN1; SMN2RIPK1PIK3CAKDRPIK3CD

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-5371219-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1994-12-06 US disclosed
US-5091531-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1992-02-25 US disclosed