SCHEMBL30899677

SCHEMBL30899677

CCCn1ncc2c(C)cc(NC(=O)OC(C)(C)C)nc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
KLKB1 P03952 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
LCK P06239 1/20 0.35
SCN9A Q15858 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 0.81 GSK3B (0.44) GSK3BDYRK1ASCN9A
SCHEMBL30899670 0.80 BRD9 (0.39) GSK3BDYRK1AKLKB1CA12CA1
SCHEMBL30899678 0.73 KDM4E (0.38) GSK3BDYRK1AMEN1KMT2AATM
SCHEMBL30899671 0.73 PIM1 (0.39) GSK3BDYRK1ASCN9A
SCHEMBL31406223 0.71 PDE1A (0.43) PDE1APDE1BPDE1CNPC1RAB9A
SCHEMBL28006554 0.71 GSK3B (0.45) GSK3BDYRK1A
SCHEMBL9887468 0.70 KLKB1 (0.44) GSK3BDYRK1AKLKB1CA12CA1
SCHEMBL17598745 0.69 GSK3B (0.39) GSK3BDYRK1AKLKB1CA1LCK
SCHEMBL27731447 0.68 GSK3B (0.39) GSK3BDYRK1AKLKB1CA1LCK
SCHEMBL25833918 0.68 CNR2 (0.38) GSK3BDYRK1AMEN1KMT2A

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
CN-119562952-A KIF18A inhibitors 山东轩竹医药科技有限公司 2025-03-04 CN disclosed
WO-2024067465-A1 KIF18A INHIBITOR 山东轩竹医药科技有限公司 2024-04-04 WO disclosed