SCHEMBL22236223

SCHEMBL22236223

O=C(Nc1c[nH]nc1C(=O)Nc1ccc(C(F)(F)F)nc1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP36 Q9P275 14/20 0.50
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNE1 P15382 2/20 0.43
KCNQ1 P51787 2/20 0.43
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
WNT1 P04628 1/20 0.41

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
SCHEMBL22235792 0.91 ABL1 (0.45) USP36KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22236228 0.91 CLK2 (0.41) USP36KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22236058 0.90 USP36 (0.44) USP36KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22236062 0.89 PTPN1 (0.42) USP36KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22236263 0.87 SLC6A3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1CLK2
SCHEMBL22236014 0.86 CLK2 (0.52) CLK2DYRK1A
SCHEMBL22258279 0.85 DGAT1 (0.47) USP36
SCHEMBL22258271 0.85 USP36 (0.53) USP36KCNQ3KCNQ2SCN10ACLK2
SCHEMBL22258272 0.85 USP36 (0.53) USP36KCNQ3KCNQ2SCN10ACLK2
SCHEMBL22258278 0.84 CLK2 (0.55) USP36KCNQ3KCNQ2CLK2DYRK1A

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-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed