SCHEMBL450459

SCHEMBL450459

[c]1[c]c2nn[nH]c2cc1

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
SCHEMBL448485 0.65
SCHEMBL570244 0.64
SCHEMBL10468266 0.64
SCHEMBL9080959 0.64
SCHEMBL16670900 0.63
SCHEMBL452320 0.61
SCHEMBL1664052 0.61
SCHEMBL10467385 0.60
SCHEMBL9286289 0.59 HCAR2 (0.33)
SCHEMBL9936794 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124552-B1 TRANS-DISUBSTITUTED BENZODIAZAPORPHYRINS AS SENSITIZERS FOR SOLAR CELLS UNIV NANTES (FR) 2018-04-11 EP claimed
WO-2017017118-A1 TRANS-DISUBSTITUTED BENZODIAZAPORPHYRINS AS SENSITIZERS FOR SOLAR CELLS UNIVERSITE DE NANTES (FR) 2017-02-02 WO claimed
EP-3124552-A1 TRANS-DISUBSTITUTED BENZODIAZAPORPHYRINS AS SENSITIZERS FOR SOLAR CELLS Université de Nantes (FR) 2017-02-01 EP claimed
US-20240197888-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-06-20 US disclosed
WO-2024120467-A1 PHOSPHORAMIDATE MONOSACCHARIDES, PHARMACEUTICAL COMPOSITIONS, AND DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SURIO THERAPEUTICS CO. LTD (CN) 2024-06-13 WO disclosed
US-20240190883-A1 KRAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2024-06-13 US disclosed
WO-2024120466-A1 MONOSACCARIDES, PHARMACEUTICAL COMPOSITIONS, AND DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SURIO THERAPEUTICS CO., LTD (CN) 2024-06-13 WO disclosed
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO disclosed
US-20240190885-A1 KRAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX INC (US) 2024-06-13 US disclosed
US-20240174643-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2024-05-30 US disclosed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed
US-20040082550-A1 Tropolone derivative RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2004-04-29 US disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1357104-A1 TROPOLONE DERIVATIVE Research Foundation Itsuu Laboratory (JP) 2003-10-29 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed