SCHEMBL8966017

SCHEMBL8966017

COC(=O)Nc1cn2nc(OCc3cccc(OC)c3OC)ccc2n1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.41
PIK3CA P42336 2/20 0.41
RIPK1 Q13546 8/20 0.40
CSNK1D P48730 3/20 0.39
CSNK1E P49674 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL9369390 0.92 PIK3CA (0.43) KDRPIK3CARIPK1CSNK1DCSNK1E
SCHEMBL8965537 0.91 RIPK1 (0.43) KDRPIK3CARIPK1CSNK1DPIK3CD
SCHEMBL8966197 0.86 PIK3CA (0.41) KDRPIK3CARIPK1CSNK1DCSNK1E
SCHEMBL8965590 0.85 PIK3CA (0.45) KDRPIK3CARIPK1CSNK1DPIK3CD
SCHEMBL8965615 0.85 RIPK1 (0.41) KDRPIK3CARIPK1CSNK1D
SCHEMBL8965637 0.84 ATM (0.44) KDRPIK3CARIPK1CSNK1D
SCHEMBL9369008 0.83 PIK3CA (0.45) PIK3CARIPK1PIK3CDPIK3CG
SCHEMBL8965591 0.82 PIK3CA (0.43) KDRPIK3CARIPK1CSNK1DCSNK1E
SCHEMBL8966250 0.81 CSNK1D (0.39) KDRPIK3CARIPK1CSNK1DCSNK1E
SCHEMBL8965933 0.81 KDR (0.40) KDRPIK3CARIPK1CSNK1D

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