SCHEMBL19994036

SCHEMBL19994036

Cc1c(CN2CCNC2=O)sc2c1c(=O)n(C1CC1C)c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
ADORA2B P29275 3/20 0.52
ADORA1 P30542 3/20 0.52
ADORA3 P0DMS8 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL19994029 0.88 ADORA2B (0.59) ADORA2AADORA2BADORA1ADORA3SMN1; SMN2
SCHEMBL19994423 0.88 ADORA2B (0.61) ADORA2AADORA2BADORA1ADORA3SMN1; SMN2
SCHEMBL19995277 0.87 ADORA2B (0.55) ADORA2AADORA2BADORA1ADORA3SMN1; SMN2
SCHEMBL19995230 0.87 ADORA2B (0.55) ADORA2AADORA2BADORA1ADORA3SMN1; SMN2
SCHEMBL19994100 0.86 ADORA2A (0.52) ADORA2AADORA2BADORA1ADORA3POLB
SCHEMBL19993963 0.86 ADORA2B (0.57) ADORA2AADORA2BADORA1ADORA3SMN1; SMN2
SCHEMBL19993961 0.86 ADORA2B (0.57) ADORA2AADORA2BADORA1ADORA3SMN1; SMN2
SCHEMBL19993870 0.85 ADORA2B (0.54) ADORA2AADORA2BADORA1ADORA3SMN1; SMN2
SCHEMBL19994095 0.85 ADORA2B (0.72) ADORA2AADORA2BADORA1ADORA3
SCHEMBL20014179 0.85 ADORA2B (0.72) ADORA2AADORA2BADORA1ADORA3

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