SCHEMBL22236259

SCHEMBL22236259

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.57
CLK2 P49760 5/20 0.57
CLK3 P49761 4/20 0.57
GSK3B P49841 5/20 0.50
MAPK7 Q13164 1/20 0.50
CSF1R P07333 2/20 0.45
TDO2 P48775 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
USP36 Q9P275 4/20 0.42
WNT1 P04628 1/20 0.41
LCK P06239 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL22236002 0.90 CLK2 (0.45) DYRK1ACLK2CLK3TDO2USP36
SCHEMBL22236189 0.90 DYRK1A (0.59) DYRK1ACLK2CLK3GSK3BMAPK7
SCHEMBL22235838 0.89 DYRK1A (0.59) DYRK1ACLK2CLK3GSK3BMAPK7
SCHEMBL22236116 0.88 DYRK1A (0.64) DYRK1ACLK2CLK3GSK3BMAPK7
SCHEMBL22236229 0.86 DYRK1A (0.76) DYRK1ACLK2CLK3GSK3BMAPK7
SCHEMBL22235745 0.84 SMN1; SMN2 (0.62) DYRK1ACLK2CLK3GSK3BSMN1; SMN2
SCHEMBL22236050 0.82 CLK2 (0.57) DYRK1ACLK2CLK3USP36WNT1
SCHEMBL22236223 0.81 USP36 (0.50) DYRK1ACLK2USP36WNT1
SCHEMBL22258271 0.80 USP36 (0.53) DYRK1ACLK2CLK3SMN1; SMN2USP36
SCHEMBL22235785 0.80 DYRK1A (0.47) DYRK1ACLK2CLK3GSK3BMAPK7

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