SCHEMBL8250086

SCHEMBL8250086

CC[C@@H]1CCCN1C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(N)c1)n2CCCOC

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.66
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
SCHEMBL8249782 1.00 ADORA2A (0.66) ADORA2AITK
SCHEMBL8239600 0.98 ADORA2A (0.69) ADORA2AITK
SCHEMBL8246473 0.94 ADORA2A (0.64) ADORA2AITK
SCHEMBL8249550 0.94 ADORA2A (0.68) ADORA2A
SCHEMBL8245650 0.94 ADORA2A (0.68) ADORA2A
SCHEMBL8246472 0.94 ADORA2A (0.66) ADORA2A
SCHEMBL8240671 0.94 ADORA2A (0.66) ADORA2A
SCHEMBL8239648 0.92 ADORA2A (0.69) ADORA2A
SCHEMBL8247478 0.91 ADORA2A (0.78) ADORA2A
SCHEMBL8250076 0.91 ADORA2A (0.78) 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