SCHEMBL23635141

SCHEMBL23635141

C=C(Nc1ccc(-c2cccc(N3CCN(C)CC3)c2)cn1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
DYRK1A Q13627 7/20 0.48
GSK3B P49841 5/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
WNT1 P04628 2/20 0.45
RPS6KA3 P51812 1/20 0.43
DHFR P00374 1/20 0.43
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
CHEK1 O14757 1/20 0.42

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
SCHEMBL18979455 0.88 F10 (0.59) F10DYRK1AGSK3BWNT1PLOD2
SCHEMBL18979420 0.80 F10 (0.61) F10DYRK1AGSK3BWNT1
SCHEMBL18979422 0.77 F10 (0.62) F10DYRK1AGSK3BWNT1
SCHEMBL18979456 0.76 F10 (0.61) F10DYRK1AGSK3BWNT1
SCHEMBL19546746 0.72 DYRK1A (0.80) DYRK1AGSK3BCLK4WNT1
SCHEMBL23635137 0.70 DYRK1A (0.39) F10DYRK1AGSK3BWNT1RPS6KA3
SCHEMBL23916841 0.70 DYRK1A (0.61) DYRK1AGSK3BWNT1
SCHEMBL17027847 0.70 ADRA2C (0.56) RPS6KA3DHFRCHEK1ACHE
SCHEMBL23916557 0.69 DYRK1A (0.59) DYRK1AGSK3BCLK4WNT1
SCHEMBL23916701 0.69 DYRK1A (0.58) DYRK1AGSK3BCLK4WNT1

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