SCHEMBL28068540

SCHEMBL28068540

O=COCCc1cccnn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.43
CYP1A2 P05177 1/20 0.39
VNN1 O95497 1/20 0.33
P2RX7 Q99572 1/20 0.33
BRD4 O60885 1/20 0.31
CYP2C9 P11712 1/20 0.30
NAMPT P43490 1/20 0.30
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL27861569 0.88 CTDSP1 (0.37) CTDSP1CYP1A2VNN1P2RX7HRH1
SCHEMBL28021265 0.81 CTDSP1 (0.41) CTDSP1CYP1A2VNN1P2RX7BRD4
Hydrochloric Acid SCHEMBL27823343 0.80 CTDSP1 (0.41) CTDSP1CYP1A2VNN1P2RX7BRD4
SCHEMBL27558627 0.79
SCHEMBL5252807 0.76 HRH1 (0.50) CYP1A2HRH1
SCHEMBL3079246 0.76 CYP1A2 (0.47) CTDSP1CYP1A2VNN1P2RX7BRD4
SCHEMBL30481580 0.76 CTDSP1 (0.42) CTDSP1CYP1A2VNN1P2RX7BRD4
SCHEMBL28299484 0.76 CTDSP1 (0.42) CTDSP1CYP1A2VNN1P2RX7BRD4
Bromide SCHEMBL28768599 0.75 CA12 (0.49) CYP1A2HRH1
Hydrochloric Acid SCHEMBL27562976 0.75 CA12 (0.49) CYP1A2HRH1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831782-A The synthetic method of 6 chlorine imidazos [1,2 b] formic acid of pyridazine 3 山东友帮生化科技有限公司 2017-06-13 CN claimed
CN-101868458-B Isoxazolo-pyridazine derivatives HOFFMANN LA ROCHE 2012-11-28 CN claimed
CN-101868458-A Isoxazolo-pyridazine derivatives HOFFMANN LA ROCHE 2010-10-20 CN claimed
CN-110317213-A The huge ring of the diaryl of regulator as protein kinase 特普医药公司 2019-10-11 CN disclosed
CN-110317214-A The huge ring of the diaryl of regulator as protein kinase 特普医药公司 2019-10-11 CN disclosed
CN-110191887-A The Imidazopyridazine regulator of IL-12, IL-23 and/or IFN-α 百时美施贵宝公司 2019-08-30 CN disclosed
CN-110099901-A Pyrazolo [3,4-b] pyridine and imidazo [1,5-b] pyridazine as PDE1 inhibitor H.隆德贝克有限公司 2019-08-06 CN disclosed
CN-106170289-B Diaryl macrocycles as modulators of protein kinases 特普医药公司 2019-07-23 CN disclosed
CN-110036015-A It can be used as the Imidazopyridazine compounds of the regulator of IL-12, IL-23 and/or IFN α response 百时美施贵宝公司 2019-07-19 CN disclosed
CN-109923113-A novel isoxazolyl ether derivatives as GABA A α 5 PAM 豪夫迈·罗氏有限公司 2019-06-21 CN disclosed
CN-106459027-B 6-substituted-3H-1, 3-benzothiazol-2-one compounds as TARP-gamma 8 dependent AMPA receptor antagonists 伊莱利利公司 2019-04-02 CN disclosed
CN-105658640-A Alkynyl alcohols and methods of use 豪夫迈·罗氏有限公司 2016-06-08 CN disclosed
CN-101981033-B Substituted imidazopyridazines useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2015-02-04 CN disclosed
CN-101868458-B Isoxazolo-pyridazine derivatives HOFFMANN LA ROCHE 2012-11-28 CN disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed
CN-101981033-A Substituted imidazopyridazines useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2011-02-23 CN disclosed
CN-101868458-A Isoxazolo-pyridazine derivatives HOFFMANN LA ROCHE 2010-10-20 CN disclosed
CN-100349895-C Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2007-11-21 CN disclosed
CN-1759117-A Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2006-04-12 CN disclosed
CN-1229408-A Dihydroindole derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-09-22 CN disclosed