SCHEMBL2472934

SCHEMBL2472934

C1=Cc2ccc3ccncc3c2[N]C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK2 Q9H2X6 1/20 0.35
TNF P01375 1/20 0.33
MAPK10 P53779 3/20 0.32
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
RAD52 P43351 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL29569821 0.69 CLK1 (0.54) CLK1DYRK1AHIPK2TNFMAPK10
SCHEMBL672509 0.69 CLK1 (0.54) CLK1DYRK1AHIPK2TNFMAPK10
SCHEMBL442201 0.67 CHRNB2 (0.31)
SCHEMBL445874 0.67 CHRNB2 (0.31)
SCHEMBL9263313 0.62 CLK1 (0.35) CLK1DYRK1AHIPK2TNFMAPK10
SCHEMBL20053491 0.61 CLK1 (0.34) CLK1DYRK1AHIPK2TNFMAPK10
SCHEMBL1419181 0.61 IMPDH2 (0.50) CLK1DYRK1AHIPK2TNFMAPK10
SCHEMBL29568879 0.61 IMPDH2 (0.50) CLK1DYRK1AHIPK2TNFMAPK10
SCHEMBL2472936 0.60 CLK1 (0.36) CLK1DYRK1AHIPK2TNFMAPK10
SCHEMBL11730656 0.60 CLK1 (0.36) CLK1DYRK1AHIPK2TNFMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2372803-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20030134145-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2003-07-17 US disclosed