SCHEMBL8965972

SCHEMBL8965972

COCCOC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.46
KDR P35968 8/20 0.40
CSNK1D P48730 1/20 0.38
RIPK1 Q13546 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MET P08581 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
SCHEMBL8966365 0.93 PIK3CA (0.41) PIK3CAKDRCSNK1DRIPK1SMN1; SMN2
SCHEMBL8965525 0.93 PIK3CA (0.41) PIK3CAKDRCSNK1DRIPK1SMN1; SMN2
SCHEMBL8965653 0.91 KDR (0.41) PIK3CAKDRCSNK1DNPSR1
SCHEMBL8965644 0.91 PIK3CA (0.42) PIK3CAKDRCSNK1DRIPK1KMT2A
SCHEMBL8965590 0.90 PIK3CA (0.45) PIK3CAKDRCSNK1DRIPK1SMN1; SMN2
SCHEMBL8966177 0.90 PIK3CA (0.40) PIK3CAKDRCSNK1DRIPK1SMN1; SMN2
SCHEMBL8965975 0.87 PIK3CA (0.45) PIK3CAKDRRIPK1MAOBPIK3CD
SCHEMBL8965601 0.87 RIPK1 (0.42) PIK3CAKDRCSNK1DRIPK1SMN1; SMN2
SCHEMBL8965523 0.86 PIK3CA (0.47) PIK3CAKDRCSNK1DRIPK1SMN1; SMN2
SCHEMBL8965909 0.86 PIK3CA (0.42) PIK3CAKDRRIPK1SMN1; SMN2MAOB

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
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP claimed
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
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed