SCHEMBL8965946

SCHEMBL8965946

Cc1cccc(COc2ccc(N)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
MAOB P27338 7/20 0.48
PIN1 Q13526 1/20 0.45
FFAR1 O14842 1/20 0.44
MAOA P21397 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 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
SCHEMBL8965939 0.82 MAOB (0.55) IDO1MAOBPIN1TAAR1HTR1A
SCHEMBL8965693 0.82 CYP3A4 (0.51) IDO1MAOBPIN1
SCHEMBL8965857 0.81 NUDT1 (0.43) FFAR1ALDH1A1LMNA
SCHEMBL8965986 0.81 NOS1 (0.52) FFAR1ALDH1A1
SCHEMBL933699 0.80 BCAT2 (0.55) IDO1MAOBMAOAALDH1A1LMNA
SCHEMBL8966289 0.79 THRA (0.44) MAOBFFAR1ALDH1A1LMNATAAR1
SCHEMBL8965867 0.78 FFAR1 (0.38) FFAR1ALDH1A1LMNA
SCHEMBL23287992 0.78 IDO1 (0.50) IDO1MAOBPIN1FFAR1MAOA
SCHEMBL8965617 0.76 TAAR1 (0.41) ALDH1A1TDP1TAAR1
SCHEMBL8965593 0.74 NOS1 (0.45) MAOBALDH1A1

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