SCHEMBL22236014

SCHEMBL22236014

O=C(Nc1c[nH]nc1C(=O)Nc1ccc(C(F)(F)F)nc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 2/20 0.52
DYRK1A Q13627 2/20 0.52
CSF1R P07333 1/20 0.49
BRAF P15056 1/20 0.49
CRACR2A Q9BSW2 1/20 0.49
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
TNF P01375 1/20 0.46
RAB9A P51151 1/20 0.46
NOD1 Q9Y239 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CLK3 P49761 1/20 0.46

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
SCHEMBL22236263 0.90 SLC6A3 (0.48) CLK2DYRK1A
SCHEMBL22236081 0.88 CLK2 (0.68) CLK2DYRK1ALMNAMEN1KMT2A
SCHEMBL18048931 0.86 LMNA (0.64) CLK2DYRK1ACSF1RBRAFCRACR2A
SCHEMBL22236223 0.86 USP36 (0.50) CLK2DYRK1A
SCHEMBL22235792 0.85 ABL1 (0.45) CLK2DYRK1A
SCHEMBL22236228 0.85 CLK2 (0.41) CLK2DYRK1A
SCHEMBL22235679 0.85 LMNA (0.68) CLK2DYRK1APIM1PIM3PIM2
SCHEMBL22236058 0.84 USP36 (0.44) CLK2DYRK1A
SCHEMBL22236062 0.83 PTPN1 (0.42) CLK2DYRK1ABRAF
SCHEMBL22235816 0.83 MAPT (0.53) CLK2DYRK1APIM1PIM3PIM2

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