SCHEMBL23935869

SCHEMBL23935869

N#Cc1cc(F)cc(Oc2ncc(S)c3c2CC(F)(F)C3O)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 10/20 0.58
▸ EPAS1 Q99814 18/20 0.53
▸ ARNT P27540 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL18078060 0.88 VEGFA (0.69) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL18078041 0.84 EPAS1 (0.71) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL23935780 0.81 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL23935887 0.80 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL23935871 0.80 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL28425966 0.80 VEGFA (0.53) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL30136472 0.80 VEGFA (0.53) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL28425970 0.80 VEGFA (0.53) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL30136471 0.80 VEGFA (0.53) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL28895560 0.80 VEGFA (0.53) VEGFAEPAS1ARNTCYP2C9CYP2C19

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
EP-3268362-B1 SUBSTITUTED PYRIDINES AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2021-10-20 — — EP disclosed
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