SCHEMBL25430366

SCHEMBL25430366

O=c1cc[nH]c2nc(-c3ccccc3Oc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 3/20 0.42
▸ TTBK2 Q6IQ55 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ BRD4 O60885 5/20 0.38
▸ SCN8A Q9UQD0 7/20 0.38
▸ SCN10A Q9Y5Y9 7/20 0.38
▸ BRAF P15056 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ TNNI3K Q59H18 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TGFBR1 P36897 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
SCHEMBL25430011 0.85 TTBK1 (0.41) TTBK1TTBK2HSD17B10ADORA2AADORA1
SCHEMBL25430475 0.79 HSD17B10 (0.40) HSD17B10ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL25431696 0.77 GRM2 (0.38) BRD4SCN9A
SCHEMBL25429720 0.77 HSD17B10 (0.55) HSD17B10BRD4SCN8ASCN10ASCN9A
SCHEMBL25432124 0.72 ELANE (0.40) ADORA2AADORA1
SCHEMBL25427626 0.67 HSD17B10 (0.51) TTBK1HSD17B10SCN8ASCN10ABRAF
SCHEMBL2881510 0.66 SCN8A (0.43) SCN8ASCN10A
SCHEMBL28638978 0.66 L3MBTL1 (0.52) MAPK14
SCHEMBL21145512 0.66 ADORA2A (0.57) HSD17B10ADORA2AADORA1TGFBR1
SCHEMBL28672016 0.66 NCOA1 (0.62) BRD4MAPK14SCN9A

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-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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