SCHEMBL17954746

SCHEMBL17954746

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4c(N(c6ccccc6)c6ccccc6)cccc45)cc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 4/20 0.37
▸ PIK3CG P48736 4/20 0.37
▸ PRKDC P78527 4/20 0.37
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ATM Q13315 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL16431833 0.94 TSHR (0.36) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16441449 0.91 PIK3CB (0.36) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL22140592 0.90 PRKDC (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16441543 0.90 ALOX5 (0.37) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL17853042 0.90 PIK3CB (0.36) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL17954751 0.90 ABCG2 (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16441398 0.89 KDM4E (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL17703159 0.89 ALOX5 (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL14295556 0.89 ALOX5 (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL14295613 0.88 ALOX5 (0.37) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA

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
WO-2016116520-A1 PHENYLETHER-SUBSTITUTED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
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