SCHEMBL8240381

SCHEMBL8240381

COCCCn1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)NC3CC3)cnc21

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.63
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
SCHEMBL8246513 0.96 ADORA2A (0.60) ADORA2AITK
SCHEMBL8247550 0.89 ADORA2A (0.70) ADORA2A
SCHEMBL4590068 0.89 ADORA2A (0.78) ADORA2A
SCHEMBL8246946 0.88 ADORA2A (0.69) ADORA2A
SCHEMBL8250081 0.88 ADORA2A (0.79) ADORA2A
SCHEMBL8248394 0.87 ADORA2A (0.64) ADORA2A
SCHEMBL8249497 0.87 ADORA2A (0.80) ADORA2A
SCHEMBL8249502 0.86 ADORA2A (0.65) ADORA2AITK
SCHEMBL8250308 0.86 ADORA2A (0.68) ADORA2A
SCHEMBL8240307 0.86 ADORA2A (0.65) ADORA2AITK

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