SCHEMBL19995255

SCHEMBL19995255

CCCn1c(=O)n(C2CC2C)c(=O)c2c(C)c(C=O)sc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.36
ADORA1 P30542 3/20 0.32
ADORA2A P29274 2/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL19994360 1.00 ADORA2B (0.36) ADORA2BADORA1ADORA2AADORA3
SCHEMBL19994297 0.93 KDM4E (0.37) ADORA2BADORA1ADORA2AADORA3
SCHEMBL19994299 0.93 KDM4E (0.37) ADORA2BADORA1ADORA2AADORA3
SCHEMBL19995188 0.91 ADORA2B (0.35) ADORA2BADORA1ADORA2AADORA3
SCHEMBL19994438 0.91 ADORA2B (0.35) ADORA2BADORA1ADORA2AADORA3
SCHEMBL19994177 0.90 ADORA2B (0.32) ADORA2B
SCHEMBL20014394 0.90 ADORA2B (0.32) ADORA2B
SCHEMBL19994338 0.90 ADORA2B (0.32) ADORA2B
SCHEMBL19995082 0.88 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3
SCHEMBL19994365 0.88 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3

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 3 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
WO-2018054846-A1 N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed