SCHEMBL8966075

SCHEMBL8966075

COC(=O)Nc1cn2nc(SCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 5/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
POLB P06746 2/20 0.37
RIPK1 Q13546 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37

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
SCHEMBL9375894 0.92 RXFP1 (0.47) RXFP1LMNAMAPTTP53PIK3CA
SCHEMBL8965585 0.81 PIK3CA (0.43) MAPTPIK3CAPIK3CDPIK3CGPOLB
SCHEMBL8965590 0.80 PIK3CA (0.45) PIK3CAPIK3CDPIK3CGRIPK1CSNK1D
SCHEMBL8966239 0.79 PIK3CA (0.43) PIK3CAPIK3CDPIK3CGRIPK1CSNK1D
SCHEMBL8965620 0.76 TUBB4A (0.48) LMNAPIK3CAPIK3CDPIK3CG
SCHEMBL8965611 0.76 PIK3CA (0.45) PIK3CAPIK3CDPIK3CGPOLBCSNK1D
SCHEMBL8965977 0.74 PIK3CA (0.44) PIK3CAPIK3CDPIK3CGRIPK1CSNK1D
SCHEMBL9375937 0.74 TP53 (0.49) RXFP1LMNAMAPTTP53POLB
SCHEMBL8965644 0.73 PIK3CA (0.42) PIK3CARIPK1NPC1RAB9ACSNK1D
SCHEMBL8965909 0.73 PIK3CA (0.42) PIK3CAPIK3CDPIK3CGRIPK1

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