SCHEMBL19901896

SCHEMBL19901896

Bc1c(B)c(B)c(-c2nc(-c3cccc(Br)c3)nc3ncccc23)c(B)c1B

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.47
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 1/20 0.38
GRM5 P41594 1/20 0.37
EGFR P00533 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 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
SCHEMBL19901841 0.86 ABCG2 (0.40) ABCG2
SCHEMBL15003496 0.84 ABCG2 (0.50) ABCG2GRM5
SCHEMBL15003467 0.82 ABCG2 (0.48) ABCG2GRM5IDO1TDO2
SCHEMBL15003523 0.81 ABCG2 (0.47) ABCG2GRM5IDO1TDO2
SCHEMBL16218750 0.81 ABCG2 (0.47) ABCG2GRM5IDO1TDO2
SCHEMBL19901901 0.81 ABCG2 (0.49) ABCG2
SCHEMBL19901873 0.80 BIRC5 (0.38) ABCG2PIK3CDPIK3CAMTORPIK3CG
SCHEMBL16218749 0.80 ABCG2 (0.47) ABCG2PIK3CDPIK3CAMTORPIK3CG
SCHEMBL16218747 0.79 ABCG2 (0.46) ABCG2PIK3CDPIK3CAMTORPIK3CG
SCHEMBL16231239 0.79 ABCG2 (0.48) ABCG2GRM5IDO1TDO2

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