SCHEMBL80186

SCHEMBL80186

CC1(C)c2ccccc2-c2ncc(-c3nc(-c4cnc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cnc5c(c4)C(C)(C)c4cccnc4-5)n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
NPC1 O15118 1/20 0.33
TGFBR1 P36897 3/20 0.32
BACE1 P56817 2/20 0.32
CTSD P07339 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL10036763 0.92 PDK2 (0.43) PDK2CYP1A2CYP2C19KMT2ANPC1
SCHEMBL17427066 0.87 PDK2 (0.35) PDK2CYP1A2CYP2C19KMT2ANPC1
SCHEMBL80388 0.87 PDK2 (0.40) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL81168 0.86 PDK2 (0.38) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL82020 0.85 PDK2 (0.37) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL80220 0.82 PDK2 (0.39) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL80361 0.82 GABRG2 (0.39) PDK2CYP1A2CYP2C19KMT2AGABRG2
SCHEMBL17427067 0.81 ABCG2 (0.35) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL68937 0.81 PDK2 (0.57) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL80873 0.81 GABRG2 (0.40) PDK2CYP1A2CYP2C19KMT2AGABRG2

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-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed