SCHEMBL8250084

SCHEMBL8250084

COCCCn1c(NC(=O)c2cccc(N)c2)nc2ccc(C(=O)N3CCCC[C@H]3C)nc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.63
ITK Q08881 4/20 0.45
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8246817 0.98 ADORA2A (0.60) ADORA2AITK
SCHEMBL4590485 0.91 ADORA2A (0.63) ADORA2AITKMEN1MAPK1KMT2A
SCHEMBL4590479 0.91 ADORA2A (0.63) ADORA2AITKMEN1MAPK1KMT2A
SCHEMBL14156188 0.90 ADORA2A (0.78) ADORA2AITK
SCHEMBL8246937 0.88 ADORA2A (0.60) ADORA2AITK
SCHEMBL8247560 0.87 ADORA2A (0.82) ADORA2A
SCHEMBL14156090 0.87 ADORA2A (0.75) ADORA2AITK
SCHEMBL8239534 0.87 ADORA2A (0.82) ADORA2A
SCHEMBL8246609 0.87 ADORA2A (0.82) ADORA2A
SCHEMBL8246362 0.87 ADORA2A (0.57) 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