SCHEMBL16557943

SCHEMBL16557943

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(-c5cccc6ccccc56)c5cc(-c6ccc7ccccc7c6)ccc5c(-c5cccc6ccccc56)c4c3)ccc1n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.40
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ TDP2 O95551 5/20 0.35
▸ PDE9A O76083 1/20 0.34
▸ STK10 O94804 1/20 0.34
▸ SLK Q9H2G2 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ G6PD P11413 2/20 0.32
▸ PGR P06401 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
SCHEMBL16557918 0.99 PIM1 (0.38) PIM1CA1CA2PDPK1TDP2
SCHEMBL16560620 0.96 CA1 (0.36) PIM1CA1CA2PDPK1TDP2
SCHEMBL16557917 0.96 CA1 (0.36) PIM1CA1CA2PDPK1TDP2
SCHEMBL16557902 0.95 CA1 (0.36) PIM1CA1CA2PDPK1TDP2
SCHEMBL16557951 0.94 CA1 (0.35) CA1CA2PDPK1TDP2STK10
SCHEMBL16557953 0.94 CA1 (0.35) CA1CA2PDPK1TDP2STK10
SCHEMBL16557903 0.93 KDM4E (0.35) PIM1CA1CA2PDPK1TDP2
SCHEMBL16557906 0.92 KDM4E (0.34) PIM1CA1CA2PDPK1TDP2
SCHEMBL16557890 0.92 CA1 (0.38) CA1CA2PDPK1TDP2PDE9A
SCHEMBL16557914 0.92 CA1 (0.38) CA1CA2PDPK1TDP2PDE9A

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-20150069355-A1 CONDENSED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 — — US disclosed
US-20150069355-A1 CONDENSED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 — — US disclosed
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