SCHEMBL13720904

SCHEMBL13720904

CN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5ncccc45)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
CHKA P35790 1/20 0.44
PDE5A O76074 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CSF1R P07333 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL13721508 1.00 EGFR (0.47) EGFRCHKAPDE5AKDM4EMAPT
SCHEMBL13721355 0.93 KDM4E (0.44) EGFRCHKAKDM4EMAPTCYP3A4
SCHEMBL13720552 0.93 KDM4E (0.44) EGFRCHKAKDM4EMAPTCYP3A4
SCHEMBL13720967 0.91 CHKA (0.52) EGFRCHKAPDE5AHRH3
SCHEMBL13721231 0.91 CHKA (0.52) EGFRCHKAPDE5AHRH3
SCHEMBL13721521 0.90 KDM4E (0.41) EGFRCHKAKDM4EMAPTCYP3A4
SCHEMBL13720496 0.90 KDM4E (0.41) EGFRCHKAKDM4EMAPTCYP3A4
SCHEMBL16484705 0.89 KDM4E (0.47) EGFRCHKAKDM4EMAPTCYP3A4
SCHEMBL13721335 0.89 ALDH1A1 (0.38) EGFRCHKAKDM4EMAPTCYP3A4
SCHEMBL13721255 0.89 ALDH1A1 (0.38) EGFRCHKAKDM4EMAPTCYP3A4

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-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed
US-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed