SCHEMBL21896545

SCHEMBL21896545

N#Cc1cc(N)c(C#N)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPKAPK2 P49137 7/20 0.33
TTR P02766 2/20 0.32
ALB P02768 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL28456522 0.85 KDM4E (0.38) VCAM1KDM4EGAAALDH1A1MAPKAPK2
SCHEMBL2040623 0.83 VCAM1 (0.41) VCAM1ALDH1A1TTRALBMEN1
SCHEMBL21918828 0.80 VCAM1 (0.39) VCAM1ALDH1A1TTRALBMEN1
SCHEMBL29802422 0.79 VCAM1 (0.35) VCAM1KDM4EGAAALDH1A1TTR
SCHEMBL15812540 0.79 VCAM1 (0.35) VCAM1KDM4EGAAALDH1A1TTR
SCHEMBL21896672 0.76 KDM4E (0.37) KDM4EGAAALDH1A1MAPKAPK2MEN1
SCHEMBL26840549 0.76 TTR (0.35) VCAM1KDM4EGAAALDH1A1TTR
SCHEMBL26345588 0.76 TTR (0.40) VCAM1KDM4EGAAALDH1A1TTR
SCHEMBL29824357 0.76 KHK (0.36) KDM4EGAAMAPKAPK2MEN1KMT2A
SCHEMBL11525607 0.75 VCAM1 (0.39) VCAM1KDM4EGAAALDH1A1TTR

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
EP-3109247-B1 CARBAZOLE COMPOUND OR ANALOGUES THEREOF AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-04-22 EP disclosed