SCHEMBL8965644

SCHEMBL8965644

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

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CSNK1D P48730 1/20 0.39
KDR P35968 6/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PTGER1 P34995 1/20 0.38
MET P08581 1/20 0.38
RIPK1 Q13546 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 0.93 PIK3CA (0.41) PIK3CAKDM4ECSNK1DKDRRIPK1
SCHEMBL8965590 0.92 PIK3CA (0.45) PIK3CAKMT2ACSNK1DKDRMET
SCHEMBL8965653 0.91 KDR (0.41) PIK3CAKDM4EALDH1A1L3MBTL1CSNK1D
SCHEMBL8965972 0.91 PIK3CA (0.46) PIK3CAKMT2ACSNK1DKDRMET
SCHEMBL8966365 0.91 PIK3CA (0.41) PIK3CAKMT2ACSNK1DKDRRIPK1
SCHEMBL8965523 0.90 PIK3CA (0.47) PIK3CACSNK1DKDRMETRIPK1
SCHEMBL8965977 0.89 PIK3CA (0.44) PIK3CAKDM4EKMT2AL3MBTL1CSNK1D
SCHEMBL8965601 0.89 RIPK1 (0.42) PIK3CAKMT2ACSNK1DKDRRIPK1
SCHEMBL8966177 0.88 PIK3CA (0.40) PIK3CAKDM4EALDH1A1L3MBTL1CSNK1D
SCHEMBL8965909 0.88 PIK3CA (0.42) PIK3CAALDH1A1GAAKDRPTGER1

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