SCHEMBL8965694

SCHEMBL8965694

COc1cc(COc2ccc3nc(NC(=O)OCC(O)CO)cn3n2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.39
CSNK1D P48730 2/20 0.36
KDR P35968 6/20 0.36
RIPK1 Q13546 2/20 0.34
CSNK1E P49674 1/20 0.34
FYN P06241 1/20 0.34
MAOB P27338 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.88 PIK3CA (0.41) PIK3CACSNK1DKDRRIPK1MAOB
SCHEMBL8965644 0.87 PIK3CA (0.42) PIK3CACSNK1DKDRRIPK1
SCHEMBL8965590 0.87 PIK3CA (0.45) PIK3CACSNK1DKDRRIPK1MAOB
SCHEMBL8965525 0.86 PIK3CA (0.41) PIK3CACSNK1DKDRRIPK1MAOB
SCHEMBL8965972 0.86 PIK3CA (0.46) PIK3CACSNK1DKDRRIPK1MAOB
SCHEMBL8965601 0.84 RIPK1 (0.42) PIK3CACSNK1DKDRRIPK1CSNK1E
SCHEMBL8965653 0.84 KDR (0.41) PIK3CACSNK1DKDR
SCHEMBL8966177 0.83 PIK3CA (0.40) PIK3CACSNK1DKDRRIPK1MAOB
SCHEMBL8965523 0.83 PIK3CA (0.47) PIK3CACSNK1DKDRRIPK1CSNK1E
SCHEMBL8965909 0.83 PIK3CA (0.42) PIK3CAKDRRIPK1MAOBPIK3CD

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