SCHEMBL1807486

SCHEMBL1807486

CCOCCOc1ccc(Cn2cc(-c3cccnc3N)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
EPHB4 P54760 6/20 0.40
TEK Q02763 5/20 0.40
KDR P35968 4/20 0.40
PTGS2 P35354 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
CYP19A1 P11511 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1816014 0.90 CCNK (0.47) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1808096 0.89 CCNK (0.47) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1805271 0.86 CCNK (0.56) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1733688 0.83 L3MBTL1 (0.47) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1809892 0.83 MEN1 (0.45) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1812647 0.83 HSP90AA1 (0.45) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1808527 0.83 NPC1 (0.53) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1734185 0.82 CYP19A1 (0.51) CCNKCDK12MEN1KMT2AEPHB4
SCHEMBL1733372 0.81 TEK (0.46) CCNKCDK12MEN1KMT2ANPC1
SCHEMBL1816497 0.81 TEK (0.43) CCNKCDK12MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed