SCHEMBL30899671

SCHEMBL30899671

CCCn1nnc2ccc(NC(=O)OC(C)(C)C)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
SCN9A Q15858 1/20 0.38
HCAR3 P49019 1/20 0.38
BRD4 O60885 7/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
BCHE P06276 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
SLC9A1 P19634 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP17A1 P05093 1/20 0.35

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
SCHEMBL30899668 0.80 GSK3B (0.44) SCN9AGSK3BDYRK1ACYP17A1
SCHEMBL30899678 0.77 KDM4E (0.38) GSK3BDYRK1AALDH1A1PTGDR2CYP17A1
SCHEMBL30899677 0.73 GSK3B (0.40) SCN9AGSK3BDYRK1A
SCHEMBL30899670 0.70 BRD9 (0.39) SCN9ABRD4GSK3BDYRK1ABRD9
SCHEMBL13064311 0.69 GSK3B (0.42) SCN9ABRD4GSK3BDYRK1ABRD9
SCHEMBL22988880 0.68 LCK (0.41) GSK3BDYRK1ACYP17A1
SCHEMBL24517615 0.68 MAPKAPK2 (0.38) SCN9AGSK3BDYRK1ACYP17A1
SCHEMBL29394473 0.68 LCK (0.47) GSK3BDYRK1A
SCHEMBL29498073 0.67 ATR (0.47) SCN9AGSK3BDYRK1ACYP17A1
SCHEMBL16925304 0.67 ATR (0.47) SCN9AGSK3BDYRK1ACYP17A1

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
WO-2024067465-A1 KIF18A INHIBITOR 山东轩竹医药科技有限公司 2024-04-04 WO disclosed