SCHEMBL16637799

SCHEMBL16637799

Cc1c(C(=O)N2CCC(CC(=O)O)CC2)sc2c1c(=O)n(CC(C)C)c(=O)n2CCC(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 13/20 0.66
ADORA2A P29274 3/20 0.66
ADORA1 P30542 3/20 0.66
ADORA3 P0DMS8 1/20 0.37
SLC16A1 P53985 6/20 0.37
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL19611060 0.92 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL19611085 0.90 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3SLC16A1
SCHEMBL16637831 0.90 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL16643943 0.90 ADORA2B (0.81) ADORA2BADORA2AADORA1ADORA3SLC16A1
SCHEMBL16637640 0.88 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL18010227 0.88 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL18010224 0.88 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3SLC16A1
SCHEMBL19611067 0.87 ADORA2B (0.65) ADORA2BADORA2AADORA1
SCHEMBL19611068 0.86 ADORA2B (0.57) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL16638070 0.86 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3MEN1

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