SCHEMBL22236249

SCHEMBL22236249

CN1CCN(c2ccc(NC(=O)c3n[nH]cc3NC(=O)c3cncc(F)c3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DYRK1A Q13627 10/20 0.52
WNT1 P04628 4/20 0.52
CLK2 P49760 7/20 0.51
CLK3 P49761 6/20 0.51
CLK1 P49759 1/20 0.51
GSK3B P49841 1/20 0.49
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
DGAT1 O75907 1/20 0.45
PPARG P37231 1/20 0.44

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
SCHEMBL22236105 0.92 KCNQ3 (0.55) RAB9AL3MBTL1SMN1; SMN2DYRK1AWNT1
SCHEMBL22236231 0.90 CLK2 (0.57) DYRK1ACLK2CLK3KCNQ3KCNQ2
SCHEMBL22235783 0.90 RAB9A (0.60) RAB9AL3MBTL1SMN1; SMN2DYRK1AWNT1
SCHEMBL22235745 0.89 SMN1; SMN2 (0.62) RAB9AL3MBTL1SMN1; SMN2DYRK1AWNT1
SCHEMBL22235928 0.89 DYRK1A (0.62) RAB9AL3MBTL1SMN1; SMN2DYRK1AWNT1
SCHEMBL22236221 0.86 DYRK1A (0.60) DYRK1AWNT1CLK2CLK3KCNQ3
SCHEMBL22258528 0.85 DYRK1A (0.44) RAB9AL3MBTL1SMN1; SMN2DYRK1AWNT1
SCHEMBL22236189 0.83 DYRK1A (0.59) DYRK1ACLK2CLK3CLK1GSK3B
SCHEMBL22236037 0.81 DYRK1A (0.53) RAB9AL3MBTL1SMN1; SMN2DYRK1AWNT1
SCHEMBL22236270 0.81 DYRK1A (0.53) RAB9AL3MBTL1SMN1; SMN2DYRK1AWNT1

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