SCHEMBL8965653

SCHEMBL8965653

CCCCOC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.41
EGFR P00533 6/20 0.41
PIK3CA P42336 3/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CSNK1D P48730 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL8965525 0.95 PIK3CA (0.41) KDREGFRPIK3CAKDM4ECSNK1D
SCHEMBL8966365 0.91 PIK3CA (0.41) KDRPIK3CANPSR1CSNK1D
SCHEMBL8965972 0.91 PIK3CA (0.46) KDRPIK3CANPSR1CSNK1D
SCHEMBL8965644 0.91 PIK3CA (0.42) KDRPIK3CAALDH1A1L3MBTL1KDM4E
SCHEMBL8965590 0.89 PIK3CA (0.45) KDRPIK3CACSNK1D
SCHEMBL8966177 0.89 PIK3CA (0.40) KDRPIK3CAALDH1A1LMNAL3MBTL1
SCHEMBL8965601 0.86 RIPK1 (0.42) KDRPIK3CALMNACSNK1D
SCHEMBL8965523 0.85 PIK3CA (0.47) KDRPIK3CACSNK1D
SCHEMBL8965909 0.84 PIK3CA (0.42) KDRPIK3CAALDH1A1
SCHEMBL8965694 0.84 PIK3CA (0.39) KDRPIK3CACSNK1D

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
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP claimed
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