SCHEMBL8965537

SCHEMBL8965537

COC(=O)Nc1cn2nc(OCc3ccccc3OC)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 14/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK1D P48730 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL9369008 0.92 PIK3CA (0.45) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL8966017 0.91 KDR (0.41) RIPK1PIK3CAPIK3CDPIK3CGCSNK1D
SCHEMBL8965615 0.89 RIPK1 (0.41) RIPK1PIK3CACSNK1DKDR
SCHEMBL8965591 0.87 PIK3CA (0.43) RIPK1PIK3CAPIK3CDPIK3CGCSNK1D
SCHEMBL8965637 0.87 ATM (0.44) RIPK1PIK3CACSNK1DKDR
SCHEMBL9280653 0.86 CSNK1D (0.44) RIPK1PIK3CAPIK3CDPIK3CGCSNK1D
SCHEMBL8965933 0.86 KDR (0.40) RIPK1PIK3CACSNK1DKDR
SCHEMBL8966250 0.86 CSNK1D (0.39) RIPK1PIK3CACSNK1DKDR
SCHEMBL8965870 0.84 PDE10A (0.42) PIK3CASMN1; SMN2CSNK1DKDR
SCHEMBL8965590 0.83 PIK3CA (0.45) RIPK1PIK3CAPIK3CDPIK3CGSMN1; SMN2

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