SCHEMBL16637555

SCHEMBL16637555

Cc1c(OC(=O)O)sc2c1c(=O)n(CCc1ccccc1Cl)c(=O)n2CCC=C(F)F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.46
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16637347 0.91 ADORA2B (0.49) ADORA2BACACBACACA
SCHEMBL16637553 0.89 ADORA2B (0.55) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL16637918 0.89 ADORA2B (0.56) ADORA2BACACBACACA
SCHEMBL16637528 0.85 ADORA2B (0.52) ADORA2BACACBACACA
SCHEMBL16643988 0.85 ACACB (0.47) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL16637408 0.82 ADORA2B (0.47) ADORA2BACACBACACAMEN1KMT2A
Hydrochloric Acid SCHEMBL16637583 0.81 ADORA2B (0.49) ADORA2BACACBACACA
SCHEMBL16637595 0.81 ADORA2B (0.53) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL16637346 0.79 ADORA2B (0.56) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL16637504 0.79 ADORA2B (0.46) ADORA2BACACBACACAMEN1KMT2A

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