SCHEMBL5359797

SCHEMBL5359797

COCCCn1c(Nc2cccc(C#N)c2)nc2cc(C(=O)OC)ccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.63
▸ ITK Q08881 6/20 0.58
▸ EHMT2 Q96KQ7 1/20 0.51

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
SCHEMBL1467481 0.88 ADORA2A (0.80) ADORA2AITKEHMT2
SCHEMBL5369293 0.88 ADORA2A (0.82) ADORA2AITK
SCHEMBL1468329 0.80 ADORA2A (0.89) ADORA2AITK
SCHEMBL1467861 0.78 ADORA2A (1.00) ADORA2AITK
SCHEMBL12744837 0.76 ADORA2A (1.00) ADORA2AITK
SCHEMBL16463988 0.76 EHMT2 (0.77) ITKEHMT2
SCHEMBL4589978 0.76 ADORA2A (0.85) ADORA2A
SCHEMBL20096722 0.76 OPRK1 (0.58) EHMT2
SCHEMBL1467419 0.76 ADORA2A (0.81) ADORA2AITK
SCHEMBL8225590 0.75 EHMT2 (0.66) ADORA2AITKEHMT2

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
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 — — WO disclosed
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