SCHEMBL2211911

SCHEMBL2211911

O=C(Nc1cccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)c1)c1ccc(C2CCCNC2)cc1

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
SCHEMBL2214311 0.83 KCNK9 (0.44)
SCHEMBL2213715 0.83 SMN1; SMN2 (0.38)
SCHEMBL2214272 0.82 MAP3K5 (0.39)
SCHEMBL2215043 0.82 F2 (0.39)
SCHEMBL2215249 0.82 SMN1; SMN2 (0.37)
SCHEMBL2213042 0.81 LMNA (0.37)
SCHEMBL2215156 0.81 KDM4E (0.37)
SCHEMBL2216183 0.80 ALDH1A1 (0.42)
SCHEMBL2215221 0.79 MAPT (0.42)
SCHEMBL2214233 0.79 DNMT1 (0.42)

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-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 US disclosed
EP-1797096-A2 NOVEL PYRAZOLOPYRIMIDINES Altana Pharma AG (DE) 2007-06-20 EP disclosed
WO-2006027346-A2 NOVEL PYRAZOLOPYRIMIDINES ALTANA PHARMA AG (DE) 2006-03-16 WO disclosed