SCHEMBL16144389

SCHEMBL16144389

c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6ncnc7ccccc67)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.43
ADORA2A P29274 1/20 0.36
CSF1R P07333 5/20 0.34
PDE5A O76074 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
MAP4K4 O95819 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
ACP1 P24666 1/20 0.32
DAPK3 O43293 1/20 0.32
ABL1 P00519 1/20 0.32
ERBB2 P04626 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
LTK P29376 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
SCHEMBL16144453 0.91 EGFR (0.51) EGFRADORA2ACSF1RMAP4K4ABCG2
SCHEMBL16144390 0.83 PLAU (0.34)
SCHEMBL12575566 0.83 CYP1A2 (0.33) ERBB2
SCHEMBL16144466 0.83 EGFR (0.46) EGFRADORA2ACSF1RPIK3CDMAP4K4
SCHEMBL16144440 0.82 EGFR (0.46) EGFRCSF1RPDE5AMAP4K4ABCG2
SCHEMBL16144431 0.81 ABCG2 (0.42) EGFRADORA2AMAP4K4ABCG2CLK4
SCHEMBL16144475 0.81 EGFR (0.44) EGFRADORA2ACSF1RMAP4K4ABCG2
SCHEMBL18810724 0.80 CYP1A2 (0.34) ERBB2
SCHEMBL16144487 0.80 PLG (0.31)
SCHEMBL24251325 0.79 CDK4 (0.34) ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9583718-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-9583718-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 US disclosed