SCHEMBL8965593

SCHEMBL8965593

COc1cc(COc2ccc(N)nn2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.45
CYP19A1 P11511 1/20 0.42
ABCB1 P08183 3/20 0.40
BCAT2 O15382 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PDE2A O00408 1/20 0.39
ENPP2 Q13822 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
MAOB P27338 4/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
BRCA1 P38398 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 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
SCHEMBL8965939 0.87 MAOB (0.55) ABCB1MAOB
SCHEMBL10533393 0.86 NPC1 (0.50) BCAT2ALDH1A1PDE2AMAOB
SCHEMBL8965564 0.82 TUBB1 (0.48) CYP19A1ABCB1ALDH1A1MEN1KMT2A
SCHEMBL8965867 0.79 FFAR1 (0.38) NOS1BCAT2ALDH1A1PDE2AENPP2
SCHEMBL8966307 0.79 HTR2A (0.49) ABCB1KDM4E
SCHEMBL8966341 0.77 IDO1 (0.55) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8965612 0.76 BCAT2 (0.39) BCAT2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL933699 0.75 BCAT2 (0.55) BCAT2ALDH1A1MAOB
SCHEMBL8965946 0.74 IDO1 (0.51) ALDH1A1MAOB
SCHEMBL8965857 0.74 NUDT1 (0.43) NOS1BCAT2ALDH1A1NOS3NOS2

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