SCHEMBL23635137

SCHEMBL23635137

C=C(Nc1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cn1)c1cnc(C)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.39
GSK3B P49841 3/20 0.39
ABL1 P00519 1/20 0.37
F10 P00742 4/20 0.36
FASN P49327 1/20 0.34
BTK Q06187 2/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 1/20 0.33
RPS6KA3 P51812 1/20 0.33
WNT1 P04628 1/20 0.33
NPY5R Q15761 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33

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
SCHEMBL18996612 0.89 DYRK1A (0.48) DYRK1AGSK3BABL1F10WNT1
SCHEMBL23635161 0.79 DYRK1A (0.44) DYRK1AGSK3BABL1F10WNT1
SCHEMBL17027809 0.76 DYRK1A (0.42) DYRK1AGSK3BABL1F10WNT1
SCHEMBL17027818 0.75 F10 (0.54) DYRK1AGSK3BF10WNT1CLK2
SCHEMBL17027858 0.75 DYRK1A (0.47) DYRK1AGSK3BABL1F10WNT1
SCHEMBL18979437 0.73 PIK3CA (0.52) DYRK1AGSK3BF10AKT1PIK3CA
SCHEMBL18979456 0.72 F10 (0.61) DYRK1AGSK3BF10WNT1CLK2
SCHEMBL23635162 0.71 DYRK1A (0.34) DYRK1AGSK3BABL1
SCHEMBL23635141 0.70 F10 (0.49) DYRK1AGSK3BF10RPS6KA3WNT1
SCHEMBL17027778 0.70 DEGS1 (0.47)

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
EP-3107909-B1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC INC (US) 2021-07-14 EP disclosed