SCHEMBL8966010

SCHEMBL8966010

CCc1ccccc1COc1ccc(N)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.45
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SGMS2 Q8NHU3 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
TRPC6 Q9Y210 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLAU P00749 1/20 0.32
PKM P14618 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8965974 0.81 IDO1 (0.51) BCAT2GAAMAPTSGMS2LMNA
SCHEMBL8966253 0.80 BCAT2 (0.41) BCAT2GAAMAPTNPSR1LMNA
SCHEMBL8965864 0.78 CNR1 (0.47) BCAT2MAPTNPSR1LMNAHTT
SCHEMBL8965872 0.78 BCAT2 (0.46) BCAT2ALDH1A1
SCHEMBL933699 0.76 BCAT2 (0.55) BCAT2GAAL3MBTL1MAPTLMNA
SCHEMBL8965617 0.75 TAAR1 (0.41) BCAT2MAPTHTTKDM4EHPGD
SCHEMBL2349832 0.75 BCAT2 (0.47) BCAT2L3MBTL1MAPTLMNAHTT
SCHEMBL31206831 0.75 BCAT2 (0.47) BCAT2L3MBTL1MAPTLMNAHTT
SCHEMBL8966305 0.75 ABCB1 (0.49) GAAL3MBTL1NPSR1LMNAKDM4E
SCHEMBL8965572 0.72 SYK (0.47) BCAT2L3MBTL1KDM4EALDH1A1SMN1; 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 9 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
CN-1085901-A Preparation contains the method for the antineoplastic pharmaceutical compositions of Imidazopyridazine derivative WELLCOME FOUND (GB) 1994-04-27 CN 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
CN-1031532-A HETEROCYCLIC COMPOUNDS WELLCOME FOUND (GB) 1989-03-08 CN disclosed
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed