SCHEMBL25430344

SCHEMBL25430344

O=c1nc[nH]c2cc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ DYRK1A Q13627 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ QPCT Q16769 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ MAP2K4 P45985 2/20 0.31
▸ MAPK6 Q16659 2/20 0.31
▸ MAPKAPK3 Q16644 1/20 0.31

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
SCHEMBL25430317 0.85 HSD17B10 (0.53) TRPV1PARP1DYRK1AHSD17B10TRPA1
SCHEMBL30544122 0.77 TRPV1 (0.37) TRPV1GSK3BKIF11
SCHEMBL25954052 0.77 TRPV1 (0.37) TRPV1GSK3BKIF11
SCHEMBL25429595 0.73 TRPV1 (0.37) TRPV1KIF11MAPK1
SCHEMBL25428430 0.73 TRPV1 (0.36) TRPV1TRPA1CCNB2CDK1CCNB1
SCHEMBL30544022 0.73 TRPV1 (0.36) TRPV1TRPA1CCNB2CDK1CCNB1
SCHEMBL25341274 0.71 KIF11 (0.50) TRPV1CCNB2CDK1CCNB1GSK3A
SCHEMBL25340553 0.71 KIF11 (0.50) TRPV1CCNB2CDK1CCNB1GSK3A
SCHEMBL25973977 0.71 TRPV1 (0.39) TRPV1TRPA1CCNB2CDK1CCNB1
SCHEMBL25974048 0.71 TRPV1 (0.37) TRPV1CCNB2CDK1CCNB1GSK3A

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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