SCHEMBL22236201

SCHEMBL22236201

O=C(Nc1c[nH]nc1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.58
CLK2 P49760 5/20 0.58
CLK3 P49761 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
STAT3 P40763 1/20 0.45
USP36 Q9P275 4/20 0.44
ABL1 P00519 3/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DGAT1 O75907 1/20 0.42
WNT1 P04628 2/20 0.42
RAF1 P04049 1/20 0.40
BRAF P15056 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
SCHEMBL22236221 0.90 DYRK1A (0.60) DYRK1ACLK2CLK3ABL1DGAT1
SCHEMBL22235978 0.89 DYRK1A (0.59) DYRK1ACLK2CLK3SMN1; SMN2MAPT
SCHEMBL22258271 0.89 USP36 (0.53) DYRK1ACLK2CLK3SMN1; SMN2MAPT
SCHEMBL22235863 0.88 CLK2 (0.51) DYRK1ACLK2CLK3SMN1; SMN2MAPT
SCHEMBL22258272 0.88 USP36 (0.53) DYRK1ACLK2CLK3SMN1; SMN2MAPT
SCHEMBL22235626 0.88 DYRK1A (0.75) DYRK1ACLK2CLK3ABL1WNT1
SCHEMBL22258278 0.87 CLK2 (0.55) DYRK1ACLK2CLK3SMN1; SMN2MAPT
SCHEMBL22235745 0.86 SMN1; SMN2 (0.62) DYRK1ACLK2CLK3SMN1; SMN2MAPT
SCHEMBL22235747 0.85 CLK2 (0.55) DYRK1ACLK2CLK3SMN1; SMN2MAPT
SCHEMBL22236223 0.81 USP36 (0.50) DYRK1ACLK2USP36SCN10AWNT1

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