SCHEMBL19994095

SCHEMBL19994095

COCCn1c(=O)n([C@H]2C[C@@H]2C)c(=O)c2c(C)c(CN3CCNC3=O)sc21

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.72
ADORA2A P29274 4/20 0.72
ADORA1 P30542 4/20 0.72
ADORA3 P0DMS8 3/20 0.72

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
SCHEMBL20014179 1.00 ADORA2B (0.72) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994093 1.00 ADORA2B (0.72) ADORA2BADORA2AADORA1ADORA3
SCHEMBL20015102 0.92 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994086 0.91 ADORA2B (0.69) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994105 0.90 ADORA2B (0.71) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994029 0.90 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994039 0.89 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3
SCHEMBL20014151 0.89 ADORA2B (0.74) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19995277 0.89 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3
SCHEMBL20014284 0.89 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515919-A1 N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2019-07-31 EP disclosed
WO-2018054846-A1 N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed