SCHEMBL31461671

SCHEMBL31461671

O=C(NCc1cc2c3ccccc3[nH]c(=O)n2n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.48
BRAF P15056 1/20 0.42
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 1/20 0.39
F2R P25116 1/20 0.39
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
OPRM1 P35372 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL26601315 0.90 BRAF (0.40) ADORA3BRAFMAPK8MAPK10KDM4E
SCHEMBL31461661 0.88 EGLN1 (0.39) BRAFF2REGFRBTKOPRM1
SCHEMBL31461718 0.82 HCN1 (0.42) KDM4EF2REGFRBTKMEN1
SCHEMBL31461716 0.80 SLC6A9 (0.39) MAPK8MAPK10F2REGFRBTK
SCHEMBL31461667 0.80 ALDH1A1 (0.42) KDM4EF2REGFRBTK
SCHEMBL31461717 0.80 EGFR (0.42) KDM4EF2REGFRBTK
SCHEMBL30623744 0.80 ALDH1A1 (0.40) KDM4EF2REGFRBTKOPRM1
SCHEMBL26629778 0.80 ALDH1A1 (0.40) KDM4EF2REGFRBTKOPRM1
SCHEMBL31461693 0.80 ALDH1A1 (0.44) KDM4EF2REGFRBTKMEN1
SCHEMBL31461720 0.79 HCN1 (0.41) KDM4EF2REGFRBTKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed