SCHEMBL588982

SCHEMBL588982

CCc1cn[nH]n1

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
SCHEMBL11028518 0.80
SCHEMBL25300747 0.74
SCHEMBL16115175 0.74
SCHEMBL24513361 0.73
SCHEMBL13710508 0.73
SCHEMBL30905708 0.66 CYP19A1 (0.54)
SCHEMBL25253030 0.64 KDM4E (0.35)
SCHEMBL28325066 0.64
SCHEMBL2627066 0.63
SCHEMBL17112129 0.63 NAMPT (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852320-B2 Preparation of metal-triazolate frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-07 US claimed
CN-103429597-A Preparation of metal-triazolate frameworks UNIV CALIFORNIA 2013-12-04 CN claimed
EP-2665733-A2 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS The Regents of The University of California (US) 2013-11-27 EP claimed
US-20120186449-A1 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 US claimed
WO-2012100224-A2 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 WO claimed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
WO-2024119117-A1 MODIFIED 5' CAP FOR MRNA AND METHODS OF USE THEREOF PRIME MEDICINE, INC. (US) 2024-06-06 WO disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-3672951-B1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-08-30 EP disclosed
US-11691982-B2 Thailanstatin analogs PH PHARMA CO., LTD. (KR) 2023-07-04 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-20230054781-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2023-02-23 US disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC (US) 2007-03-08 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed