SCHEMBL16483258

SCHEMBL16483258

c1ccc(-c2cc(-c3ccccn3)cc(-c3ccc4ccc5c(-c6cnc7ccccc7c6)ccc6ccc3c4c65)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.43
▸ PDGFRA P16234 3/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP11 Q9NR21 1/20 0.41
▸ NISCH Q9Y2I1 1/20 0.39
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ BIRC5 O15392 1/20 0.38
▸ PIM1 P11309 3/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CSNK1G2 P78368 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ MAP4K5 Q9Y4K4 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
SCHEMBL15497848 0.92 PDGFRB (0.46) PDGFRBPDGFRACYP2A6PARP10PARP11
SCHEMBL15497840 0.90 PDGFRB (0.43) PDGFRBPDGFRACYP2A6PARP10PARP11
SCHEMBL16483776 0.88 POLB (0.49) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL16483333 0.88 POLB (0.49) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL15497847 0.87 PDGFRB (0.54) PDGFRBPDGFRACYP2A6PARP10PARP11
SCHEMBL17427674 0.85 KDM4E (0.42) CYP2A6DHODHPRMT5
SCHEMBL15497844 0.85 PDGFRB (0.39) PDGFRBPDGFRACYP2A6PARP10PARP11
SCHEMBL15497834 0.84 PDGFRB (0.51) PDGFRBPDGFRACYP2A6PARP10PARP11
SCHEMBL16483791 0.84 KDM4E (0.39) CYP2A6PIK3CDPIK3CAPIK3CGPI4KB
SCHEMBL16483027 0.84 KDM4E (0.39) CYP2A6PIK3CDPIK3CAPIK3CGPI4KB

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-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 — — WO disclosed
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