SCHEMBL30544158

SCHEMBL30544158

FC(F)(F)c1ccc(Oc2nccnc2-c2cnc3[nH]nnc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL25340897 1.00 CCNB2 (0.37) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25340209 0.84 PDE10A (0.45) PDE10A
SCHEMBL30544130 0.84 TRPV1 (0.37) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25428892 0.84 TRPV1 (0.37) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25428722 0.82 TRPV1 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL30544083 0.82 TRPV1 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25341570 0.78 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25375442 0.76 FEN1 (0.38) —
SCHEMBL25379789 0.75 KDM4E (0.44) KCNH2SCN9A
SCHEMBL25376091 0.75 HTT (0.42) LMNAHPGDHTTPDE10A

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