SCHEMBL22236189

SCHEMBL22236189

CN1CCC(Oc2ccc(NC(=O)c3n[nH]cc3NC(=O)c3cncc(F)c3)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.59
CLK2 P49760 7/20 0.59
CLK3 P49761 6/20 0.59
MAPK7 Q13164 1/20 0.54
GSK3B P49841 9/20 0.53
TDO2 P48775 1/20 0.47
HTR1F P30939 1/20 0.45
CLK1 P49759 1/20 0.43
NAMPT P43490 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
SCHEMBL22235838 0.91 DYRK1A (0.59) DYRK1ACLK2CLK3MAPK7GSK3B
SCHEMBL22235785 0.90 DYRK1A (0.47) DYRK1ACLK2CLK3MAPK7GSK3B
SCHEMBL22236259 0.90 DYRK1A (0.57) DYRK1ACLK2CLK3MAPK7GSK3B
SCHEMBL22236116 0.90 DYRK1A (0.64) DYRK1ACLK2CLK3MAPK7GSK3B
SCHEMBL22236229 0.88 DYRK1A (0.76) DYRK1ACLK2CLK3MAPK7GSK3B
SCHEMBL22258432 0.87 DYRK1A (0.55) DYRK1ACLK2CLK3MAPK7GSK3B
SCHEMBL22236249 0.83 RAB9A (0.53) DYRK1ACLK2CLK3GSK3BCLK1
SCHEMBL22236176 0.82 DYRK1A (0.47) DYRK1ACLK2CLK3MAPK7GSK3B
SCHEMBL22236190 0.81 DYRK1A (0.52) DYRK1ACLK2CLK3GSK3BCLK1
SCHEMBL22258274 0.81 DYRK1A (0.59) DYRK1ACLK2CLK3GSK3B

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