SCHEMBL8230504

SCHEMBL8230504

COCCCn1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N3CCOCC3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.68
ITK Q08881 4/20 0.56
PTGER4 P35408 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49

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
SCHEMBL8230677 0.94 ADORA2A (0.68) ADORA2AITK
SCHEMBL8233912 0.92 ADORA2A (0.79) ADORA2AITKEHMT2
SCHEMBL12744854 0.89 ADORA2A (0.85) ADORA2AITK
SCHEMBL8247059 0.87 ADORA2A (0.81) ADORA2A
SCHEMBL8230880 0.86 ADORA2A (0.75) ADORA2AITK
SCHEMBL8225590 0.85 EHMT2 (0.66) ADORA2AITKEHMT2
SCHEMBL8230877 0.85 ADORA2A (0.79) ADORA2AITK
SCHEMBL8239545 0.85 ADORA2A (0.61) ADORA2AITK
SCHEMBL8240280 0.85 ADORA2A (0.76) ADORA2A
SCHEMBL8232572 0.84 ADORA2A (0.69) 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