SCHEMBL30103201

SCHEMBL30103201

Cc1ccc(F)cc1-n1c(Nc2cccnc2)nc2ccc(C#N)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.42
PIK3CD O00329 2/20 0.42
MAPK14 Q16539 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
BRAF P15056 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.36
CHRM4 P08173 1/20 0.36
TEK Q02763 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL24111041 1.00 GPR6 (0.42) GPR6PIK3CDMAPK14ABCG2TDO2
SCHEMBL23931443 0.89 PDE7A (0.43) ABCG2L3MBTL1CSNK2A1
SCHEMBL30103276 0.89 PDE7A (0.43) ABCG2L3MBTL1CSNK2A1
SCHEMBL23958210 0.86 GPR6 (0.41) GPR6PIK3CDABCG2CSNK2A1
SCHEMBL23958207 0.86 GPR6 (0.37) GPR6PIK3CDABCG2BRAFIDO1
SCHEMBL30103275 0.84 TDO2 (0.48) TDO2IDO2L3MBTL1IDO1
SCHEMBL23958208 0.84 TDO2 (0.48) TDO2IDO2L3MBTL1IDO1
SCHEMBL30103185 0.83 ABCG2 (0.42) PIK3CDABCG2CSNK2A1
SCHEMBL24110797 0.83 ABCG2 (0.42) PIK3CDABCG2CSNK2A1
SCHEMBL24111004 0.82 CYP19A1 (0.42) ABCG2IDO1

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
CN-115427399-A 2-heteroarylaminoquinazolinone derivatives 住友制药株式会社 2022-12-02 CN claimed
CN-115427399-A 2-heteroarylaminoquinazolinone derivatives 住友制药株式会社 2022-12-02 CN disclosed