SCHEMBL21757798

SCHEMBL21757798

N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-c2ccncc2)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
SLC6A2 P23975 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.37
PTGER4 P35408 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
MET P08581 1/20 0.35
CYP11B2 P19099 2/20 0.35
FLT3 P36888 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
IMPDH2 P12268 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
NRP1 O14786 1/20 0.34

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
SCHEMBL19909037 0.94 MAPK14 (0.38) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19909035 0.94 FLT3 (0.38) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19913141 0.91 MAPK14 (0.35) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19913143 0.91 MAPK14 (0.35) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19913148 0.91 MAPK14 (0.35) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19913155 0.91 MAPK14 (0.35) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19909117 0.90 MAPK14 (0.39) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19913150 0.90 MAPK14 (0.39) MAPK14ABCG2METFLT3USP2
SCHEMBL19913139 0.90 MAPK14 (0.37) MAPK14SLC6A2ABCG2PTGER4CSNK1A1
SCHEMBL19913140 0.90 MAPK14 (0.37) MAPK14SLC6A2ABCG2PTGER4CYP11B2

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
US-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
WO-2020218558-A1 COMPOUND, MATERIAL FOR ORGANIC DEVICE, COMPOSITION FOR FORMING LIGHT-EMITTING LAYER, ORGANIC FIELD-EFFECT TRANSISTOR, ORGANIC THIN-FILM SOLAR CELL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 学校法人関西学院 2020-10-29 WO disclosed
WO-2020040298-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, LUMINESCENT LAYER FORMING COMPOSITION, AND COMPOUND 学校法人関西学院 2020-02-27 WO disclosed