SCHEMBL14224868

SCHEMBL14224868

CC(C)(c1cncc(-c2cccc(C#N)c2)c1)c1cccc(-c2cccc(C#N)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA1 P14867 1/20 0.42
IDO1 P14902 2/20 0.41
BRAF P15056 1/20 0.40
CTSS P25774 2/20 0.40
NEK1 Q96PY6 1/20 0.39
CTSK P43235 1/20 0.39
GRM2 Q14416 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL14224770 0.85 CTSS (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL12293150 0.72 KIF11 (0.53) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL14224889 0.70 GRM5 (0.57) GRM2
SCHEMBL3266995 0.69 IDO1 (0.51) IDO1CTSSCTSK
SCHEMBL13243318 0.68 KIF11 (0.53) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10431256 0.68 GABRA1 (0.59) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL31226184 0.68 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL14224867 0.67 CLK4 (0.49) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL9792980 0.67 CTSS (0.62) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15469175 0.67 MEN1 (0.47)

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
US-20080079358-A1 Organic electroluminescent element FUJIFILM CORPORATION 2008-04-03 US disclosed