SCHEMBL17851114

SCHEMBL17851114

N#Cc1cc(C=N)cc(N2c3ccccc3N(c3cc(C=N)cc(C=N)c3)c3ccccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.33
TSHR P16473 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL17883204 0.81 TSHR (0.42) NR1H3TSHRDRD2DRD3
SCHEMBL17354978 0.76 KDM4E (0.41)
SCHEMBL17883187 0.71 DRD2 (0.51) TSHRDRD2DRD3
SCHEMBL17851012 0.71 MGLL (0.33) NR1H3
SCHEMBL19345084 0.70 TSHR (0.36) TSHRDRD2DRD3
SCHEMBL17715927 0.69 KDM4E (0.34)
SCHEMBL19345080 0.69 KDM4E (0.40) TSHRDRD2DRD3
SCHEMBL19344952 0.69 HPGD (0.42) TSHRDRD2DRD3
SCHEMBL19344949 0.69 HDAC6 (0.42) DRD3
SCHEMBL19344950 0.69 P2RX4 (0.36) TSHR

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-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 EP disclosed