SCHEMBL17196263

SCHEMBL17196263

N#Cc1cccc(C(N)c2ccccc2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TNF P01375 1/20 0.39
GRM4 Q14833 1/20 0.38
HDAC1 Q13547 1/20 0.37
TSHR P16473 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.36
KIF11 P52732 1/20 0.35
ENPP2 Q13822 1/20 0.35
MAP2K1 Q02750 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HPGDS O60760 1/20 0.34
GSK3B P49841 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 3/20 0.33
ADRA2B P18089 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL29434770 0.81 TSHR (0.48) ALDH1A1TNFGRM4TSHRADORA2A
SCHEMBL22927645 0.81 TSHR (0.48) ALDH1A1TNFGRM4TSHRADORA2A
Hydrochloric Acid SCHEMBL29908241 0.80 TSHR (0.46) ALDH1A1TNFGRM4TSHRADORA2A
SCHEMBL17285035 0.79 BCDIN3D (0.40) KDM4EALDH1A1GAATNFGRM4
SCHEMBL17266180 0.77 CA1 (0.39) KDM4EALDH1A1GAATSHRKIF11
SCHEMBL23429188 0.75 GRM4 (0.36) TNFGRM4HDAC1KIF11ENPP2
SCHEMBL18623225 0.75 GRM4 (0.36) TNFGRM4HDAC1KIF11ENPP2
SCHEMBL29489477 0.75 GRM4 (0.36) TNFGRM4HDAC1KIF11ENPP2
SCHEMBL17064311 0.75 GRM4 (0.36) TNFGRM4HDAC1KIF11ENPP2
SCHEMBL29581345 0.75 GRM4 (0.36) TNFGRM4HDAC1KIF11ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140367-B1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-07-29 EP disclosed
WO-2017099516-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-15 WO disclosed
WO-2015160224-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-10-22 WO disclosed