SCHEMBL22258272

SCHEMBL22258272

O=C(Nc1c[nH]nc1C(=O)Nc1ccc(N2CCCCC2)nc1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP36 Q9P275 4/20 0.53
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
STAT3 P40763 1/20 0.50
CLK2 P49760 5/20 0.49
DYRK1A Q13627 5/20 0.49
CLK3 P49761 4/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KDM4E B2RXH2 3/20 0.48
SCN10A Q9Y5Y9 3/20 0.45
WNT1 P04628 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL22258271 0.99 USP36 (0.53) USP36MAPTSMN1; SMN2STAT3CLK2
SCHEMBL22258278 0.92 CLK2 (0.55) USP36MAPTSMN1; SMN2STAT3CLK2
SCHEMBL22235745 0.92 SMN1; SMN2 (0.62) USP36MAPTSMN1; SMN2STAT3CLK2
SCHEMBL22236201 0.88 DYRK1A (0.58) USP36MAPTSMN1; SMN2STAT3CLK2
SCHEMBL22236105 0.88 KCNQ3 (0.55) MAPTSMN1; SMN2STAT3CLK2DYRK1A
SCHEMBL22236270 0.87 DYRK1A (0.53) MAPTSMN1; SMN2CLK2DYRK1ACLK3
SCHEMBL22258273 0.86 KCNQ3 (0.51) MAPTSMN1; SMN2STAT3KCNQ3KCNQ2
SCHEMBL22236037 0.86 DYRK1A (0.53) MAPTSMN1; SMN2CLK2DYRK1ACLK3
SCHEMBL22235966 0.85 KCNQ3 (0.52) MAPTSMN1; SMN2STAT3KCNQ3KCNQ2
SCHEMBL22236223 0.85 USP36 (0.50) USP36CLK2DYRK1AKCNQ3KCNQ2

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