SCHEMBL8965525

SCHEMBL8965525

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

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.41
KDR P35968 7/20 0.39
EGFR P00533 4/20 0.39
CSNK1D P48730 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RIPK1 Q13546 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8965653 0.95 KDR (0.41) PIK3CAKDREGFRCSNK1DKDM4E
SCHEMBL8966365 0.93 PIK3CA (0.41) PIK3CAKDRCSNK1DPIK3CDPIK3CG
SCHEMBL8965972 0.93 PIK3CA (0.46) PIK3CAKDRCSNK1DPIK3CDPIK3CG
SCHEMBL8965644 0.93 PIK3CA (0.42) PIK3CAKDRCSNK1DKDM4ERIPK1
SCHEMBL8965590 0.90 PIK3CA (0.45) PIK3CAKDRCSNK1DPIK3CDPIK3CG
SCHEMBL8966177 0.90 PIK3CA (0.40) PIK3CAKDRCSNK1DPIK3CDPIK3CG
SCHEMBL8965601 0.87 RIPK1 (0.42) PIK3CAKDRCSNK1DRIPK1SMN1; SMN2
SCHEMBL8965523 0.86 PIK3CA (0.47) PIK3CAKDRCSNK1DPIK3CDPIK3CG
SCHEMBL8965909 0.86 PIK3CA (0.42) PIK3CAKDRPIK3CDPIK3CGRIPK1
SCHEMBL8965694 0.86 PIK3CA (0.39) PIK3CAKDRCSNK1DPIK3CDPIK3CG

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