SCHEMBL3540181

SCHEMBL3540181

N[N+]12C=CN=CC1=C(Br)N=C2Br

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
SCHEMBL4789987 0.73
SCHEMBL3535322 0.73
SCHEMBL2323525 0.60
Ammonia Solution, Strong SCHEMBL28776475 0.33
Calcium Bromide SCHEMBL20474462 0.32
Hydroxyamine SCHEMBL9135727 0.29
Hydroxyamine SCHEMBL5968660 0.29
Hydroxyamine SCHEMBL6054442 0.29
Hydroxyamine SCHEMBL341778 0.29
Hydroxyamine SCHEMBL9602065 0.29

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957496-B1 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2012-10-24 EP disclosed
US-7648987-B2 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-01-19 US disclosed
EP-1957496-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed