SCHEMBL8965612

SCHEMBL8965612

COc1cc(COc2ccc(N)nn2)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.39
AKR1B1 P15121 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLAU P00749 1/20 0.35
NCF1 P14598 2/20 0.35
CDC25B P30305 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
HSP90AB1 P08238 2/20 0.34

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
SCHEMBL8965864 0.80 CNR1 (0.47) BCAT2AKR1B1MEN1KMT2APARP15
SCHEMBL8966341 0.76 IDO1 (0.55) MEN1KMT2AALDH1A1HSP90AB1
SCHEMBL8965593 0.76 NOS1 (0.45) BCAT2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8965974 0.74 IDO1 (0.51) BCAT2PARP10ALDH1A1CYP1A2
SCHEMBL8965939 0.72 MAOB (0.55)
SCHEMBL15345649 0.72 MEN1 (0.48) AKR1B1MEN1KMT2AL3MBTL1CDC25B
SCHEMBL10533393 0.71 NPC1 (0.50) BCAT2ALDH1A1
SCHEMBL8966010 0.71 BCAT2 (0.45) BCAT2ALDH1A1KDM4EL3MBTL1PLAU
SCHEMBL8965862 0.70 AKR1B1 (0.50) AKR1B1MEN1KMT2AL3MBTL1CDC25B
SCHEMBL13490711 0.70 CDC25B (0.49) AKR1B1MEN1KMT2AALDH1A1KDM4E

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