SCHEMBL17883204

SCHEMBL17883204

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TLR9 Q9NR96 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GRM5 P41594 3/20 0.34
NR1H3 Q13133 1/20 0.34
FADS1 O60427 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL19345080 0.85 KDM4E (0.40) TSHRDRD2DRD3
SCHEMBL19344950 0.85 P2RX4 (0.36) TSHRFADS1
SCHEMBL19344952 0.85 HPGD (0.42) TSHRDRD2DRD3
SCHEMBL19344949 0.85 HDAC6 (0.42) DRD3MAOA
SCHEMBL17883187 0.83 DRD2 (0.51) TSHRDRD2DRD3GRM5
SCHEMBL19345084 0.82 TSHR (0.36) TSHRDRD2DRD3GRM5FADS1
SCHEMBL19344953 0.82 PGR (0.43) TSHRFADS1
SCHEMBL19344951 0.82 FADS1 (0.36) TSHRDRD2DRD3GRM5FADS1
SCHEMBL17851114 0.81 NR1H3 (0.33) TSHRDRD2DRD3NR1H3
SCHEMBL31324965 0.80 TSHR (0.50) TSHRTLR9NR1H3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
EP-3706182-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kyushu University National University Corporation (JP) 2020-09-09 EP disclosed
US-10658596-B2 2020-05-19 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed