SCHEMBL25430336

SCHEMBL25430336

Fc1cc(-c2nccnc2Sc2ccc(C(F)(F)F)cc2)cc2nn[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ PTGIR P43119 1/20 0.30
▸ KIF11 P52732 1/20 0.30

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
SCHEMBL25428430 0.82 TRPV1 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL30544022 0.82 TRPV1 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25341570 0.82 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25428722 0.79 TRPV1 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL30544083 0.79 TRPV1 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25973975 0.79 KIF11 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25951852 0.78 TRPV1 (0.41) TRPA1
SCHEMBL25973977 0.75 TRPV1 (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25379344 0.75 ALOX5AP (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL26203422 0.71 MAPT (0.35) CCNB2CDK1CCNB1GSK3AGSK3B

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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