SCHEMBL16144453

SCHEMBL16144453

c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ncnc6ccccc56)ccc5ccc2c3c54)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.51
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
ERBB2 P04626 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
LTK P29376 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
RPS6KA3 P51812 1/20 0.37
LIMK1 P53667 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ACVR1 Q04771 1/20 0.37
TYRO3 Q06418 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPK14 Q16539 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL16144466 0.91 EGFR (0.46) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL16144389 0.91 EGFR (0.43) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL16144440 0.91 EGFR (0.46) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL16144431 0.90 ABCG2 (0.42) EGFRMAP4K4CLK4ABCG2ADORA2A
SCHEMBL16144475 0.89 EGFR (0.44) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL15250262 0.84 EGFR (0.40) EGFRCSF1R
SCHEMBL16144457 0.83 EGFR (0.39) EGFRCSF1R
SCHEMBL8900055 0.81 EGFR (0.69) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL16144422 0.80 PLAU (0.36) ERBB2
Hydrochloric Acid SCHEMBL6039704 0.79 EGFR (0.67) EGFRDAPK3MAP4K4ABL1ERBB2

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