SCHEMBL22236128

SCHEMBL22236128

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.54
CLK2 P49760 7/20 0.54
CLK3 P49761 6/20 0.54
GSK3B P49841 1/20 0.43
WNT1 P04628 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
APP P05067 1/20 0.38

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
SCHEMBL22236034 0.86 DYRK1A (0.54) DYRK1ACLK2CLK3GSK3BWNT1
SCHEMBL22236002 0.85 CLK2 (0.45) DYRK1ACLK2CLK3
SCHEMBL22236026 0.84 DYRK1A (0.75) DYRK1ACLK2CLK3GSK3BWNT1
SCHEMBL22236111 0.84 DYRK1A (0.55) DYRK1ACLK2CLK3GSK3B
SCHEMBL22235792 0.84 ABL1 (0.45) DYRK1ACLK2WNT1
SCHEMBL22235823 0.83 DYRK1A (0.76) DYRK1ACLK2CLK3GSK3BWNT1
SCHEMBL22236190 0.83 DYRK1A (0.52) DYRK1ACLK2CLK3GSK3B
SCHEMBL22236058 0.83 USP36 (0.44) DYRK1ACLK2WNT1SLC6A3KCNH2
SCHEMBL22236223 0.83 USP36 (0.50) DYRK1ACLK2WNT1
SCHEMBL22236228 0.82 CLK2 (0.41) DYRK1ACLK2WNT1

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 1 patent. 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