SCHEMBL4736010

SCHEMBL4736010

Nc1cnc(Br)nc1Br

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
SCHEMBL15021832 0.75
SCHEMBL13180943 0.75
SCHEMBL7418535 0.72 UHRF1 (0.35)
SCHEMBL15184555 0.70 UHRF1 (0.39)
SCHEMBL11138729 0.70 CA2 (0.39)
SCHEMBL20660792 0.70 HTT (0.33)
SCHEMBL1492552 0.70 HASPIN (0.37)
SCHEMBL10185179 0.70 UHRF1 (0.34)
SCHEMBL1163701 0.68
SCHEMBL4752370 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199999-B2 Substituted imidazopyrazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
EP-2576560-B1 SUBSTITUTED IMIDAZOPYRAZINES BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
US-20130210815-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
WO-2013117645-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
WO-2013117645-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
EP-2576560-A1 SUBSTITUTED IMIDAZOPYRAZINES Bayer Intellectual Property GmbH (DE) 2013-04-10 EP disclosed
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 WO disclosed
WO-2008083070-A1 CRF1 RECEPTOR LIGANDS COMPRISING FUSED BICYCLIC HETEROARYL MOIETIES NEUROGEN CORPORATION (US) 2008-07-10 WO disclosed