SCHEMBL8246338

SCHEMBL8246338

COCCCn1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)NCCCn3ccnc3)cnc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.63
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NAMPT P43490 5/20 0.47
CYP19A1 P11511 1/20 0.46

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
SCHEMBL14156042 0.90 ADORA2A (0.79) ADORA2ANAMPT
SCHEMBL8247550 0.89 ADORA2A (0.70) ADORA2A
SCHEMBL8249497 0.88 ADORA2A (0.80) ADORA2AALDH1A1KDM4EGAAHPGD
SCHEMBL8245706 0.87 ADORA2A (0.63) ADORA2AALDH1A1KDM4EGLAGAA
SCHEMBL8246979 0.85 ADORA2A (0.66) ADORA2A
SCHEMBL8250305 0.85 ADORA2A (0.62) ADORA2A
SCHEMBL8247557 0.84 ADORA2A (0.61) ADORA2A
SCHEMBL8245612 0.84 ADORA2A (0.73) ADORA2AALDH1A1KDM4EGAAHPGD
SCHEMBL8245590 0.83 ADORA2A (0.59) ADORA2AALDH1A1KDM4EGLAGAA
SCHEMBL8247473 0.83 ADORA2A (0.63) 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