SCHEMBL29201356

SCHEMBL29201356

COC(=O)c1cnc(-c2ccccc2)c(-c2cc(C)nc(C)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.52
ALDH1A1 P00352 3/20 0.51
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL30880825 1.00 CNR1 (0.52) CNR1ALDH1A1ADORA2AADORA2BADORA1
SCHEMBL30712635 0.90 CNR1 (0.61) CNR1ALDH1A1
SCHEMBL2830367 0.90 CNR1 (0.61) CNR1ALDH1A1
SCHEMBL28961575 0.89 CNR1 (0.49) CNR1ALDH1A1ADORA2AADORA2BADORA1
SCHEMBL3999845 0.86 CNR1 (0.66) CNR1
SCHEMBL4816393 0.80 CNR1 (0.68) CNR1
SCHEMBL29907688 0.77 ADORA2A (0.52) ALDH1A1ADORA2AADORA2BADORA1KDM4E
SCHEMBL22551869 0.77 ADORA2A (0.52) ALDH1A1ADORA2AADORA2BADORA1KDM4E
SCHEMBL9695575 0.76 CNR1 (0.66) CNR1ALDH1A1KDM4EMAPTPKM
SCHEMBL2834588 0.74 CNR1 (0.62) CNR1ALDH1A1

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
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed