SCHEMBL8965572

SCHEMBL8965572

Nc1ccc(OCc2ccccn2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.47
BCAT2 O15382 1/20 0.46
PARP10 Q53GL7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM5 P41594 2/20 0.41
MAPK14 Q16539 1/20 0.41
SMO Q99835 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MGMT P16455 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL518082 0.80 SYK (0.47) SYKPARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL19153471 0.79 KDM4E (0.58) SYKPARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL933699 0.77 BCAT2 (0.55) BCAT2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL30716906 0.77 SYK (0.54) SYKPARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL4235232 0.77 SYK (0.54) SYKPARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL11354880 0.76 SMN1; SMN2 (0.51) SYKPARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL10533401 0.74 BCAT2 (0.59) BCAT2KDM4EALDH1A1SMN1; SMN2GRM5
SCHEMBL21835281 0.73 PARP10 (0.55) SYKPARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL8965974 0.73 IDO1 (0.51) BCAT2PARP10ALDH1A1SMN1; SMN2ABCB1
SCHEMBL8966010 0.72 BCAT2 (0.45) BCAT2KDM4EALDH1A1SMN1; SMN2L3MBTL1

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