SCHEMBL6465900

SCHEMBL6465900

OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 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
SCHEMBL7986546 0.87 NOTUM (0.39) NOTUML3MBTL1
SCHEMBL5363605 0.83 NOTUM (0.34) NOTUML3MBTL1
SCHEMBL6464955 0.83 NOTUM (0.36) NOTUML3MBTL1
SCHEMBL8442070 0.83 NOTUM (0.34) NOTUML3MBTL1
SCHEMBL7969705 0.80 NOTUM (0.41) NOTUML3MBTL1
SCHEMBL10813663 0.79 CYP19A1 (0.36) NOTUML3MBTL1
SCHEMBL20309609 0.79 NOTUM (0.40) NOTUML3MBTL1
SCHEMBL8442514 0.76 KDM1A (0.36) NOTUML3MBTL1
SCHEMBL5041170 0.75 MIF (0.42)
SCHEMBL5357402 0.75 P2RX7 (0.40) NOTUML3MBTL1KDM4EMAPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204550-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed
CN-107922412-B Bicyclic compounds as ATX inhibitors 豪夫迈·罗氏有限公司 2021-02-23 CN disclosed
CN-106103446-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2019-07-30 CN disclosed
EP-3353176-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
WO-2017050792-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 WO disclosed
EP-3122750-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
CN-106103446-A Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2016-11-09 CN disclosed
WO-2015144605-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-01 WO disclosed
EP-2776435-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES Astex Therapeutics Limited (GB) 2014-09-17 EP disclosed
WO-2013061080-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 WO disclosed
EP-0594263-B1 INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES SHIONOGI & CO (JP) 1999-06-09 EP disclosed
CN-1034504-C Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1997-04-09 CN disclosed
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP disclosed
EP-0091130-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS DAIICHI SEIYAKU CO., LTD. (JP) 1987-04-08 EP disclosed
US-4603198-A Cephalosporin derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-07-29 US disclosed
EP-0091130-A2 Cephalosporin derivatives, process for preparing and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1983-10-12 EP disclosed