SCHEMBL8965909

SCHEMBL8965909

COc1cc(COc2ccc3nc(NC(=O)OC(C)(C)C)cn3n2)cc(OC)c1OC

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.42
KDR P35968 5/20 0.40
CYP2C9 P11712 1/20 0.38
PTGER1 P34995 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TTK P33981 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CG P48736 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RIPK1 Q13546 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 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
SCHEMBL8965590 0.91 PIK3CA (0.45) PIK3CAKDRMAOBSMN1; SMN2PIK3CD
SCHEMBL8965644 0.88 PIK3CA (0.42) PIK3CAKDRPTGER1ALDH1A1GAA
SCHEMBL8965523 0.87 PIK3CA (0.47) PIK3CAKDRMAOBSMN1; SMN2PIK3CD
SCHEMBL8965601 0.86 RIPK1 (0.42) PIK3CAKDRSMN1; SMN2RIPK1
SCHEMBL8965525 0.86 PIK3CA (0.41) PIK3CAKDRMAOBSMN1; SMN2PIK3CD
SCHEMBL8965972 0.86 PIK3CA (0.46) PIK3CAKDRMAOBSMN1; SMN2PIK3CD
SCHEMBL8966365 0.86 PIK3CA (0.41) PIK3CAKDRMAOBSMN1; SMN2PIK3CD
SCHEMBL8966260 0.85 KDR (0.44) PIK3CAKDRCYP2C9PIK3CDPIK3CG
SCHEMBL8965977 0.85 PIK3CA (0.44) PIK3CAKDRPIK3CDPIK3CGRIPK1
SCHEMBL8965653 0.84 KDR (0.41) PIK3CAKDRALDH1A1

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 6 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
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed