SCHEMBL7989807

SCHEMBL7989807

Cc1cccc(CCCNc2nc(=O)cc(-c3ccncc3)[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
GSK3B P49841 7/20 0.37
GSK3A P49840 4/20 0.37
DRD4 P21917 1/20 0.37
MAPK14 Q16539 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL7996288 0.88 MTNR1A (0.46) CDC7GSK3BGSK3AROCK2ROCK1
SCHEMBL7992854 0.78 GPR84 (0.41) CDC7MAPK14MEN1KMT2AROCK2
SCHEMBL5390245 0.78 PRKCA (0.43) CDC7GSK3BMEN1KMT2AROCK2
SCHEMBL5390690 0.77 GSK3B (0.48) CDC7GSK3BMAPK14MEN1KMT2A
SCHEMBL5380552 0.76 XDH (0.53) CDC7GSK3BMEN1KMT2AROCK2
SCHEMBL7993027 0.74 CA1 (0.40) CDC7GSK3BMAPK14TAAR1MEN1
SCHEMBL7978450 0.74 GPR84 (0.44) CDC7GSK3BMAPK14ROCK2GPR84
SCHEMBL7990813 0.74 GPR84 (0.43) GSK3BMEN1KMT2AGPR84
SCHEMBL7989847 0.73 CDC7 (0.43) CDC7GSK3BROCK2ROCK1
SCHEMBL7991079 0.72 ALOX5 (0.41) CDC7GSK3BMEN1KMT2AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed