SCHEMBL17324136

SCHEMBL17324136

CC1(C)c2ccccc2-c2ccc(-c3cnc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cnc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.40
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL80922 0.95 PDK2 (0.45) PDK2
SCHEMBL80381 0.95 PDK2 (0.45) PDK2
SCHEMBL81239 0.94 PDK2 (0.44) PDK2
SCHEMBL82048 0.93 PDK2 (0.41) PDK2GABRG2GABRB3GABRA5GABRA3
SCHEMBL80837 0.91 PDK2 (0.43) PDK2
SCHEMBL12617737 0.89 GABRG2 (0.39) PDK2GABRG2GABRB3GABRA5GABRA3
SCHEMBL80919 0.89 PDK2 (0.42) PDK2
SCHEMBL81616 0.88 GABRG2 (0.40) PDK2GABRG2GABRB3GABRA5GABRA3
SCHEMBL82018 0.88 PDK2 (0.37) PDK2GABRG2GABRB3GABRA5GABRA3
SCHEMBL82065 0.88 GABRG2 (0.40) PDK2GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9899613-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-02-20 US disclosed
US-9899613-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-02-20 US disclosed
US-20150357586-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-10 US disclosed
US-20150357586-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-10 US disclosed