SCHEMBL16637703

SCHEMBL16637703

CCCn1c(=O)c2c(C(F)F)c(OC(=O)O)sc2n(CCOC(F)(F)F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.38
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL16637736 0.93 ADORA2B (0.42) ADORA2BMAPK1HTT
SCHEMBL16637697 0.89 ADORA2B (0.34) ADORA2B
SCHEMBL16637503 0.88 ADORA2B (0.46) ADORA2B
SCHEMBL16637662 0.88 ADORA2B (0.47) ADORA2B
SCHEMBL16637701 0.87 ADORA2B (0.45) ADORA2BMAPK1HTT
SCHEMBL19611076 0.86 ADORA2B (0.39) ADORA2BMAPK1HTT
SCHEMBL16644083 0.82 ADORA2B (0.42) ADORA2BMAPK1HTT
SCHEMBL16637443 0.81 ADORA2B (0.49) ADORA2BMAPK1HTT
SCHEMBL19611091 0.80 ADORA2B (0.53) ADORA2B
SCHEMBL16637734 0.80 ADORA2B (0.43) ADORA2BMAPK1HTT

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-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
EP-3055313-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-08-17 EP disclosed
WO-2015052065-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-16 WO disclosed