SCHEMBL22236002

SCHEMBL22236002

O=C(Nc1c[nH]nc1C(=O)Nc1ccc(OC2CCNCC2)nc1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 5/20 0.45
CLK3 P49761 5/20 0.45
DYRK1A Q13627 5/20 0.45
USP36 Q9P275 9/20 0.42
TDO2 P48775 1/20 0.41
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
RAB9A P51151 1/20 0.39
NOD1 Q9Y239 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL22235785 0.90 DYRK1A (0.47) CLK2CLK3DYRK1ATDO2
SCHEMBL22236259 0.90 DYRK1A (0.57) CLK2CLK3DYRK1AUSP36TDO2
SCHEMBL22236176 0.88 DYRK1A (0.47) CLK2CLK3DYRK1ATDO2
SCHEMBL22236190 0.86 DYRK1A (0.52) CLK2CLK3DYRK1A
SCHEMBL22236128 0.85 DYRK1A (0.54) CLK2CLK3DYRK1A
SCHEMBL22236034 0.83 DYRK1A (0.54) CLK2CLK3DYRK1A
SCHEMBL22236223 0.83 USP36 (0.50) CLK2DYRK1AUSP36
SCHEMBL22258278 0.82 CLK2 (0.55) CLK2CLK3DYRK1AUSP36
SCHEMBL22236189 0.81 DYRK1A (0.59) CLK2CLK3DYRK1ATDO2
SCHEMBL22236050 0.79 CLK2 (0.57) CLK2CLK3DYRK1AUSP36

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