SCHEMBL19994032

SCHEMBL19994032

Cc1c(CN2CCNC2=O)sc2c1c(=O)n(C1CC1C)c(=O)n2CCC(F)(F)C(F)F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.51
ADORA2A P29274 6/20 0.51
ADORA1 P30542 6/20 0.51
ADORA3 P0DMS8 3/20 0.50

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
SCHEMBL20014706 0.92 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994320 0.91 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19995100 0.88 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19995277 0.87 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994100 0.86 ADORA2A (0.52) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19995202 0.86 ADORA2A (0.51) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994029 0.86 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19994039 0.85 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19995101 0.85 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19993870 0.85 ADORA2B (0.54) 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 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