SCHEMBL12679751

SCHEMBL12679751

Cc1cnc(-c2c(C#N)cccc2-c2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA1 P14867 4/20 0.43
GABRA2 P47869 4/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
SCN9A Q15858 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CDK1 P06493 2/20 0.40
KDR P35968 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
CHUK O15111 1/20 0.40
ROCK2 O75116 1/20 0.40
CHEK2 O96017 1/20 0.40
INSR P06213 1/20 0.40

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
SCHEMBL26337264 0.79 TSHR (0.45) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL565466 0.77 ESR2 (0.50) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL18411313 0.74 ESR2 (0.47) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL25774471 0.74 ESR2 (0.45) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL18411431 0.73 ESR2 (0.50) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL30123307 0.73 NPC1 (0.45) TDP1L3MBTL1SMN1; SMN2
SCHEMBL25775273 0.73 L3MBTL1 (0.51) CYP1A2CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL29914913 0.73 ADORA2A (0.48) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL4506623 0.72 NISCH (0.49) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL323073 0.72 GABRG2 (0.48) GABRG2GABRB3GABRA1GABRA2GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-8273467-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2012-09-25 US disclosed
US-8273467-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2012-09-25 US disclosed
US-20070202358-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202358-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed