SCHEMBL23635161

SCHEMBL23635161

CCc1ncc(C(=O)Nc2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.44
F10 P00742 7/20 0.43
GSK3B P49841 4/20 0.40
WNT1 P04628 3/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
ABL1 P00519 1/20 0.39
WNT3A P56704 1/20 0.39
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38

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 0.90 DYRK1A (0.48) DYRK1AF10GSK3BWNT1CLK2
SCHEMBL23635137 0.79 DYRK1A (0.39) DYRK1AF10GSK3BWNT1CLK2
SCHEMBL17027809 0.77 DYRK1A (0.42) DYRK1AF10GSK3BWNT1CLK2
SCHEMBL17027818 0.77 F10 (0.54) DYRK1AF10GSK3BWNT1CLK2
SCHEMBL17027858 0.76 DYRK1A (0.47) DYRK1AF10GSK3BWNT1CLK2
SCHEMBL18979437 0.75 PIK3CA (0.52) DYRK1AF10GSK3B
SCHEMBL18979456 0.74 F10 (0.61) DYRK1AF10GSK3BWNT1CLK2
SCHEMBL17027778 0.72 DEGS1 (0.47)
SCHEMBL18979420 0.72 F10 (0.61) DYRK1AF10GSK3BWNT1CLK2
SCHEMBL18979422 0.70 F10 (0.62) DYRK1AF10GSK3BWNT1CLK2

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