SCHEMBL24601095

SCHEMBL24601095

CNNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cc(C)ccn4)nc(-c4cccnc4)nc32)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.41
CD99 P14209 1/20 0.39
CCNK O75909 6/20 0.38
CDK12 Q9NYV4 6/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.36

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
SCHEMBL24601234 0.94 ADORA3 (0.47) ADORA3CD99CCNKCDK12ADORA1
SCHEMBL24600932 0.93 ADORA3 (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601227 0.92 ADORA3 (0.42) ADORA3CD99CCNKCDK12ADORA1
SCHEMBL24601094 0.91 ADORA3 (0.41) ADORA3CD99CCNKCDK12
SCHEMBL24601093 0.91 ADORA3 (0.39) ADORA3CD99CCNKCDK12
SCHEMBL24600657 0.91 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601108 0.91 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601228 0.90 CD99 (0.39) ADORA3CD99CCNKCDK12
SCHEMBL24600897 0.90 ADORA3 (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL30850742 0.88 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B

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-2022143740-A1 ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江春禾医药科技有限公司 2022-07-07 WO disclosed