SCHEMBL31469088

SCHEMBL31469088

Nc1ncnc2c1SCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 4/20 0.33
▸ EEF2K O00418 1/20 0.32
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ MET P08581 1/20 0.31
▸ PDGFRB P09619 1/20 0.31

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
SCHEMBL10267839 0.75 KDM4E (0.33) —
SCHEMBL15024227 0.65 HTR2C (0.46) ADORA2A
SCHEMBL9433906 0.61 LIMK1 (0.46) LIMK1EEF2KPI4KAPI4K2BPI4K2A
SCHEMBL361602 0.61 LIMK1 (0.46) LIMK1EEF2KDYRK1A
SCHEMBL12167769 0.60 LIMK1 (0.33) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12481992 0.58 PDE4A (0.35) PDGFRB
SCHEMBL9911123 0.58 PDE11A (0.36) —
SCHEMBL18095871 0.57 LIMK1 (0.32) LIMK1
SCHEMBL4195565 0.57 DYRK1A (0.35) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20416988 0.57 SMN1; SMN2 (0.36) —

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
CN-119684313-A Macrocyclic compound and preparation method and application thereof 上海爱科百发生物医药技术股份有限公司 2025-03-25 — — CN disclosed
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