SCHEMBL8965857

SCHEMBL8965857

CNc1cccc(COc2ccc(N)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
APP P05067 1/20 0.42
NOS1 P29475 5/20 0.40
NOS3 P29474 1/20 0.40
FFAR1 O14842 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
SIRT3 Q9NTG7 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
NOS2 P35228 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BCAT2 O15382 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL8965946 0.81 IDO1 (0.51) FFAR1LMNAALDH1A1
SCHEMBL8965939 0.79 MAOB (0.55) HTT
SCHEMBL8965693 0.78 CYP3A4 (0.51)
SCHEMBL8965867 0.78 FFAR1 (0.38) NUDT1NOS1NOS3FFAR1GAA
SCHEMBL8965986 0.78 NOS1 (0.52) APPNOS1FFAR1NOS2ALDH1A1
SCHEMBL933699 0.77 BCAT2 (0.55) NUDT1GAALMNAHTTALDH1A1
SCHEMBL8966289 0.76 THRA (0.44) NOS1FFAR1SIRT2SIRT3SIRT1
SCHEMBL8965593 0.74 NOS1 (0.45) NOS1NOS3NOS2ALDH1A1BCAT2
SCHEMBL8965564 0.71 TUBB1 (0.48) ALDH1A1
SCHEMBL25060212 0.71 APP (0.52) APPSIRT2SIRT3SIRT1HTT

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