SCHEMBL20107685

SCHEMBL20107685

O=C(Nc1c(F)cccc1Cl)c1cc(F)c(Br)cc1OCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.51
TLR7 Q9NYK1 1/20 0.49
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL20107888 0.96 DHODH (0.47) DHODHTLR7KDM4E
SCHEMBL20107970 0.92 KDM4E (0.49) DHODHKDM4E
SCHEMBL25910497 0.92 DHODH (0.52) DHODHTLR7
SCHEMBL20107915 0.87 TLR7 (0.49) DHODHTLR7KDM4E
SCHEMBL20107619 0.87 DHODH (0.46) DHODHKDM4E
SCHEMBL20107926 0.85 DHODH (0.53) DHODH
SCHEMBL21471173 0.85 DHODH (0.50) DHODHTLR7KDM4E
SCHEMBL20108103 0.82 TLR7 (0.45) DHODHTLR7
SCHEMBL20107686 0.81 DHODH (0.75) DHODH
SCHEMBL29512866 0.81 DHODH (0.75) DHODH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
WO-2019197269-A1 COMBINATIONS OF COPANLISIB WITH TRIAZOLONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO disclosed
EP-3553052-A1 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER Bayer AG (DE) 2019-10-16 EP disclosed
WO-2018077944-A2 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed