SCHEMBL17945871

SCHEMBL17945871

c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5cccc6cnccc56)cc4)n3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
TNF P01375 1/20 0.47
CYP1A2 P05177 3/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
TDO2 P48775 2/20 0.44
PIM1 P11309 1/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
MAPK8 P45983 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL22215447 0.96 TNF (0.46) PIK3CDPIK3CBPIK3CGTNFCYP1A2
SCHEMBL17343365 0.93 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGTNFCYP1A2
SCHEMBL17932555 0.92 TNF (0.49) PIK3CDPIK3CBPIK3CGTNFCYP1A2
SCHEMBL17945811 0.89 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGTNFCYP1A2
SCHEMBL17944848 0.89 TNF (0.56) TNFCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22215450 0.88 TDO2 (0.45) PIK3CDPIK3CBPIK3CGTNFCYP1A2
SCHEMBL17343411 0.86 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGTNFCYP1A2
SCHEMBL17932564 0.86 TNF (0.53) TNFCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17970019 0.85 CYP1A2 (0.54) CYP1A2PIM1CYP1A1CYP1B1CYP2C9
SCHEMBL17343237 0.85 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGTNFCYP1A2

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed