SCHEMBL25430936

SCHEMBL25430936

O=c1ccn(CCCO)c2nc(-c3cccnc3Oc3ccc(S(F)(F)(F)(F)F)cc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.35
▸ PRKCB P05771 6/20 0.35
▸ PRKCA P17252 3/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PDE10A Q9Y233 5/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ AURKB Q96GD4 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ TPX2 Q9ULW0 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
SCHEMBL25431565 0.89 GSK3B (0.39) GSK3BPRKCBPRKCAPRKCGPDE10A
SCHEMBL25430613 0.83 TEK (0.35) PDE10A
SCHEMBL25428812 0.83 PDE10A (0.38) PDE10A
SCHEMBL25374074 0.75 PDE10A (0.44) GSK3BPRKCBPDE10A
SCHEMBL25432124 0.73 ELANE (0.40) PDE10AAURKBELANEAURKATPX2
SCHEMBL25952586 0.73 PDE10A (0.34) GSK3BPRKCBPRKCAPDE10A
SCHEMBL25428450 0.71 SCN9A (0.42) GSK3BPRKCBPDE10ACCNB2CDK1
SCHEMBL30544047 0.71 SCN9A (0.42) GSK3BPRKCBPDE10ACCNB2CDK1
SCHEMBL25377299 0.69 PDE10A (0.46) PDE10A
SCHEMBL25377875 0.66 PDE10A (0.44) PDE10A

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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