SCHEMBL8247641

SCHEMBL8247641

COCCCn1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N(C)Cc3ccccc3)cnc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.66
EHMT2 Q96KQ7 1/20 0.46
ITK Q08881 1/20 0.44

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
SCHEMBL8249504 0.94 ADORA2A (0.65) ADORA2AITK
SCHEMBL8245645 0.93 ADORA2A (0.63) ADORA2AITK
SCHEMBL8245643 0.91 ADORA2A (0.80) ADORA2AITK
SCHEMBL8247597 0.90 ADORA2A (0.79) ADORA2A
SCHEMBL14156127 0.89 ADORA2A (0.83) ADORA2AITK
SCHEMBL8242529 0.89 ADORA2A (0.70) ADORA2AITK
SCHEMBL8249626 0.89 ADORA2A (0.68) ADORA2A
SCHEMBL8252435 0.89 ADORA2A (0.66) ADORA2AITK
SCHEMBL8246370 0.88 ADORA2A (0.69) ADORA2AITK
SCHEMBL8247815 0.88 ADORA2A (0.69) ADORA2A

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-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 WO disclosed