SCHEMBL25378193

SCHEMBL25378193

COc1ncc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ TRPV1 Q8NER1 5/20 0.46
▸ EPHX2 P34913 3/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ TP53 P04637 1/20 0.42

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
SCHEMBL25379847 0.81 TRPV1 (0.46) ABCG2TRPV1EPHX2PDE10A
SCHEMBL25376142 0.81 EPHX2 (0.45) ABCG2TRPV1EPHX2
SCHEMBL25376256 0.80 KCNQ3 (0.48) TRPV1EPHX2PDE10APIK3CATP53
SCHEMBL25377412 0.79 PDE10A (0.54) PDE10A
SCHEMBL25956364 0.77 TRPV1 (0.45) ABCG2TRPV1EPHX2PIK3CA
SCHEMBL25375889 0.77 EPHX2 (0.44) TRPV1EPHX2
SCHEMBL25379729 0.77 GRM5 (0.37) PDE10A
SCHEMBL25340468 0.76 TRPV1 (0.49) TRPV1EPHX2
SCHEMBL25974052 0.76 TRPV1 (0.44) ABCG2TRPV1EPHX2
SCHEMBL30482552 0.75 EGFR (0.47) ABCG2TRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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