SCHEMBL25613352

SCHEMBL25613352

CC(C)Oc1cc(-c2cnc(NC(=O)c3cccn(C)c3=O)s2)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.41
▸ XDH P47989 3/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ GPR6 P46095 2/20 0.39
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ POLQ O75417 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RET P07949 1/20 0.37

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
SCHEMBL25418143 0.84 XDH (0.42) FGFR4XDHS1PR1S1PR5CSNK2A2
SCHEMBL25605965 0.84 XDH (0.42) FGFR4XDHS1PR1S1PR5CSNK2A2
SCHEMBL25613436 0.83 PDE10A (0.42) XDHS1PR1S1PR5CSNK2A2CSNK2A1
SCHEMBL25421541 0.80 XDH (0.41) XDHS1PR1S1PR5CSNK2A2CSNK2A1
SCHEMBL25613441 0.78 USP30 (0.41) XDHS1PR1S1PR5USP30
SCHEMBL25612826 0.78 XDH (0.43) XDHS1PR1S1PR5CSNK2A2CSNK2A1
SCHEMBL25605336 0.77 MKNK1 (0.59) XDHS1PR1S1PR5USP30
SCHEMBL25421729 0.74 USP30 (0.41) XDHS1PR1S1PR5USP30
SCHEMBL25611032 0.74 USP30 (0.43) XDHS1PR1S1PR5USP30
SCHEMBL25613444 0.74 XDH (0.43) XDHS1PR1S1PR5USP30

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-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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