SCHEMBL16218752

SCHEMBL16218752

[2H]c1c([2H])c([2H])c(-c2ncnc3cccnc23)c([2H])c1[2H]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 3/20 0.32
TOP1 P11387 1/20 0.32
MAPT P10636 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31
CCR1 P32246 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL16218753 0.71 CYP1B1 (0.39) KDM4ETOP1MAPTLMNATP53
SCHEMBL16218754 0.68 PIK3CA (0.38) EGFRTOP1MAPTTSHRMTOR
SCHEMBL826404 0.66 EGFR (0.40) EGFRADORA2AKDM4EMAPTGMNN
SCHEMBL12560186 0.65 EGFR (0.49) EGFRKDM4ETOP1MAPTGMNN
SCHEMBL30946645 0.65 EGFR (0.45) EGFRKDM4EMAPTGMNNLMNA
SCHEMBL13454691 0.65 HSP90AA1 (0.45) EGFRKDM4EMAPTGMNNLMNA
SCHEMBL30831917 0.65 PDE4A (0.52) EGFRKDM4EMAPTGMNNLMNA
SCHEMBL3014296 0.65 PI4KA (0.52) EGFRADORA2A
SCHEMBL3237268 0.65 EGFR (0.45) EGFRKDM4EMAPTGMNNLMNA
SCHEMBL7876 0.65 PDE4A (0.52) EGFRKDM4EMAPTGMNNLMNA

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
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 US disclosed