SCHEMBL8965899

SCHEMBL8965899

COC(=O)Nc1cn2nc(OCc3cc(OC)cc4ccccc34)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.40
RIPK1 Q13546 7/20 0.38
PIK3CA P42336 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CSNK1D P48730 1/20 0.37
PIK3CG P48736 1/20 0.36
MET P08581 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
SCHEMBL8965637 0.88 ATM (0.44) KDRRIPK1PIK3CACSNK1D
SCHEMBL8965591 0.84 PIK3CA (0.43) KDRRIPK1PIK3CAKDM4ECSNK1D
SCHEMBL8965640 0.83 KDR (0.44) KDRPIK3CAKDM4ECSNK1DPIK3CG
SCHEMBL8965537 0.82 RIPK1 (0.43) KDRRIPK1PIK3CACSNK1DPIK3CG
SCHEMBL8965615 0.82 RIPK1 (0.41) KDRRIPK1PIK3CAKDM4ECSNK1D
SCHEMBL8965609 0.81 KDR (0.46) KDRRIPK1PIK3CG
SCHEMBL8965589 0.79 ALDH1A1 (0.46) KDRPIK3CAKDM4ECSNK1D
SCHEMBL8966250 0.79 CSNK1D (0.39) KDRRIPK1PIK3CACSNK1D
SCHEMBL8965933 0.79 KDR (0.40) KDRRIPK1PIK3CACSNK1D
SCHEMBL9280653 0.79 CSNK1D (0.44) RIPK1PIK3CAKDM4ECSNK1DPIK3CG

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