SCHEMBL28262178

SCHEMBL28262178

CSc1c(C#N)n[nH]c1N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
BRD4 O60885 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 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
SCHEMBL8024919 0.76 PRKACA (0.30) PRKACAPRKACGPRKACB
SCHEMBL1847850 0.70 PRKACA (0.48) PRKACAPRKACGPRKACBBRD4GAA
SCHEMBL3749343 0.68 GAA (0.43) PRKACAPRKACGPRKACBGAAKMT2A
SCHEMBL28251842 0.66 BRD4 (0.32) BRD4
SCHEMBL27388477 0.65 PRKACA (0.31) PRKACAPRKACGPRKACBBRD4
SCHEMBL13428861 0.64 PRKACA (0.33) PRKACAPRKACGPRKACB
SCHEMBL1558012 0.64
SCHEMBL6683717 0.62 MAPT (0.47) BRD4GAA
SCHEMBL20819066 0.60 CDK5 (0.56) PRKACAKMT2A
SCHEMBL27388476 0.60 PRKACA (0.30) PRKACAPRKACGPRKACB

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
CN-105693612-B Bridging type arylpyrazole type amide compound and its solvent heat one-pot synthesis method and application 中南民族大学 2019-01-08 CN disclosed