SCHEMBL8965872

SCHEMBL8965872

Nc1ccc(OCc2ccccc2-c2ccccc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
DPP4 P27487 1/20 0.43
CD274 Q9NZQ7 10/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TACR1 P25103 1/20 0.37
GRM2 Q14416 1/20 0.37
ATR Q13535 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
SCHEMBL933699 0.77 BCAT2 (0.55) BCAT2ALDH1A1RAB9A
SCHEMBL8965864 0.76 CNR1 (0.47) BCAT2FFAR1RAB9A
SCHEMBL8965974 0.76 IDO1 (0.51) BCAT2ALDH1A1
SCHEMBL8966253 0.75 BCAT2 (0.41) BCAT2ALDH1A1HSD17B10TP53
SCHEMBL28425403 0.73 BCAT2 (0.59) BCAT2ALDH1A1HSD17B10TP53MAPK1
SCHEMBL27718811 0.71 FFAR1 (0.62) DPP4FFAR1FFAR4ALDH1A1PTGER1
SCHEMBL8965572 0.70 SYK (0.47) BCAT2ALDH1A1
SCHEMBL8966305 0.70 ABCB1 (0.49) RAB9A
SCHEMBL1521309 0.69 DPP4 (0.59) DPP4TACR1
SCHEMBL336977 0.68 TACR1 (0.62) DPP4CD274FFAR1FFAR4ALDH1A1

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