SCHEMBL19901873

SCHEMBL19901873

Bc1c(B)c(B)c(-c2nc(-c3cccc(Br)c3)nc3cccnc23)c(B)c1B

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CG P48736 4/20 0.38
MTOR P42345 2/20 0.38
GRM5 P41594 1/20 0.37
EGFR P00533 1/20 0.36
TOP1 P11387 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19901854 0.86 CYP1B1 (0.40) PIK3CAPIK3CDPIK3CGMTORTOP1
SCHEMBL15003678 0.84 TOP1 (0.46) BIRC5PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL15003682 0.82 TOP1 (0.43) BIRC5PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL15003680 0.81 TOP1 (0.43) BIRC5PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL15003672 0.81 BIRC5 (0.45) BIRC5PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL19901901 0.81 ABCG2 (0.49) BIRC5ABCG2ABCB1MAPTNPC1
SCHEMBL19901896 0.80 ABCG2 (0.47) PIK3CAPIK3CDPIK3CGMTORGRM5
SCHEMBL16218754 0.79 PIK3CA (0.38) BIRC5PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL15003679 0.79 BIRC5 (0.46) BIRC5PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL15003684 0.78 BIRC5 (0.42) BIRC5PIK3CAPIK3CDPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 US disclosed