SCHEMBL9968247

SCHEMBL9968247

CC(C)(C)c1ncc2c(n1)c1ccccc1n2-c1ccc(C(c2ccc(-n3c4ccccc4c4nc(C(C)(C)C)ncc43)cc2)(c2ccc(-n3c4ccccc4c4nc(C(C)(C)C)ncc43)cc2)c2ccc(-n3c4ccccc4c4nc(C(C)(C)C)ncc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
PIK3CG P48736 2/20 0.40
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 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
SCHEMBL10316458 0.91 L3MBTL1 (0.47) PIK3CDPIK3CAMTORPIK3CGATM
SCHEMBL9968237 0.88 KDM4E (0.36) PIK3CDPIK3CAMTORPIK3CGATM
SCHEMBL9968174 0.85 L3MBTL1 (0.38) PIK3CDPIK3CAMTORPIK3CGATM
SCHEMBL9968272 0.84 ALDH1A1 (0.36) PIK3CDPIK3CAMTORPIK3CGATM
SCHEMBL9968093 0.80 GABRP (0.51) KDM4EL3MBTL1GABRPGABRDGABRA1
SCHEMBL9968246 0.75 KDM4E (0.36) PIK3CDPIK3CAMTORPIK3CGATM
SCHEMBL13314098 0.74 KDM4E (0.64) ATMKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL25699964 0.74 KDM4E (0.48) ATMKDM4EL3MBTL1GABRPGABRD
SCHEMBL24127578 0.71 L3MBTL1 (0.65) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL674884 0.71 KDM4E (0.59) ATMKDM4EL3MBTL1ALDH1A1MAPT

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed