SCHEMBL15940933

SCHEMBL15940933

Cc1cc2ncc[c]c2o1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2629386 0.67 NQO1 (0.35)
SCHEMBL1484732 0.64
SCHEMBL12559280 0.63 NCF1 (0.38)
SCHEMBL26571 0.63
SCHEMBL286537 0.63
SCHEMBL8275384 0.61 CHRNB2 (0.45)
SCHEMBL2248457 0.61 MAOA (0.37)
SCHEMBL20319474 0.61 ALDH1A1 (0.37)
SCHEMBL4471481 0.60 ALDH1A1 (0.46)
SCHEMBL4467255 0.60 ALDH1A1 (0.46)

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP claimed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO claimed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US claimed
US-9879004-B2 Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2018-01-30 US claimed
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-31 US claimed
CN-113473971-B Pharmaceutical formulations 詹森药业有限公司 2024-07-02 CN disclosed
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US disclosed
US-20220175760-A1 PHARMACEUTICAL FORMULATIONS JANSSEN PHARMACEUTICA NV (BE) 2022-06-09 US disclosed
EP-3927324-A1 PHARMACEUTICAL FORMULATIONS Janssen Pharmaceutica NV (BE) 2021-12-29 EP disclosed
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-03-23 US disclosed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP disclosed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
US-9879004-B2 Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
EP-2953933-A1 SUBSTITUTED ACETYLENE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Merck Patent GmbH (DE) 2015-12-16 EP disclosed
WO-2014121883-A1 SUBSTITUTED ACETYLENE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2014-08-14 WO disclosed