SCHEMBL363596

SCHEMBL363596

O=CNc1nnn[nH]1

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
SCHEMBL8611721 0.77
Hydrochloric Acid SCHEMBL8188453 0.65
SCHEMBL1259184 0.62
SCHEMBL28195765 0.62
SCHEMBL1091034 0.62
SCHEMBL8471071 0.62
SCHEMBL11117919 0.60
SCHEMBL27629163 0.60
SCHEMBL13631409 0.60
SCHEMBL28884779 0.60 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US claimed
EP-2888245-B1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-09-21 EP claimed
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-24 US claimed
EP-2888245-A1 NEW BICYCLICPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-07-01 EP claimed
WO-2014029723-A1 NEW BICYCLICPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-27 WO claimed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US claimed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP claimed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP claimed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US claimed
US-7879167-B2 Tetrazole amide such as 5-formamido-1H-tetrazole and an oxidizer such as phase stabilized ammonium nitrate (PSAN); tetrazole amide has greater stability with the preferred oxidizer; air bags TK HOLDINGS, INC. (US) 2011-02-01 US claimed
EP-0015065-B1 PYRAZOLO (5,1-B) QUINAZOLIN-9(4H)-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1983-12-28 EP claimed
US-4419352-A ANTIALLERGENS; ANTI SECRETORY AGENTS; MUCUS FISONS LIMITED (GB) 1983-12-06 US claimed
EP-0092380-A2 Antiallergic 4H-furo(3,2-b)indoles and their production WARNER-LAMBERT COMPANY (US) 1983-10-26 EP claimed
EP-0080176-A1 Triazoloquinazolines, process for their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1983-06-01 EP claimed
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US claimed
US-4333934-A ANTIALLERGIC ACTIVITY ROUSSEL UCLAF (FR) 1982-06-08 US claimed
US-4297355-A (1H,3H,5H)-(1)-Benzopyrano-(2,3-d)-pyrimidine-4-one-2-thiones and their use as anti-allergy agents SCHERING CORPORATION (US) 1981-10-27 US claimed
US-4281008-A Pharmaceutical heterocyclic compounds and compositions FISONS LIMITED (GB) 1981-07-28 US claimed
EP-0017332-A1 Pharmaceutical heterocyclic compounds, processes for their preparation and compositions containing them FISONS plc (GB) 1980-10-15 EP claimed
US-4228173-A Thiopyrano-benzopyrans, compositions and method of use thereof FISONS LIMITED (GB) 1980-10-14 US claimed