SCHEMBL30945296

SCHEMBL30945296

c1cnc2sc3c(ncn4ncnc34)c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 6/20 0.51
LIMK1 P53667 3/20 0.51
CDC7 O00311 1/20 0.51
DBF4 Q9UBU7 1/20 0.51
PIK3CA P42336 2/20 0.45
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR5 O60602 3/20 0.37
PRKCI P41743 4/20 0.36
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
KIT P10721 1/20 0.32

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
SCHEMBL17574484 0.73 MAOB (0.39) EGFRMEN1ALDH1A1HTTKMT2A
SCHEMBL30093319 0.68 CLK1 (0.67) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL16281249 0.68 CLK1 (0.67) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL12807147 0.68 CLK1 (1.00) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL9042411 0.68 CLK1 (0.67) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL30187948 0.68 CLK1 (1.00) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL1460808 0.67 MAOB (0.42) EGFRMEN1ALDH1A1HTTKMT2A
SCHEMBL8236309 0.67 GRM1 (0.60) CLK1LIMK1CDC7DBF4ALDH1A1
SCHEMBL3594952 0.66 KDM4E (0.49) MEN1ALDH1A1HTTKMT2A
SCHEMBL16919875 0.66 CLK1 (0.55) CLK1LIMK1CDC7DBF4PIK3CA

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-117964636-B Triazolopyrimidines method for synthesizing compound 上海陶术生物科技股份有限公司 2025-03-21 CN disclosed
CN-117964636-A Synthesis method of triazolopyrimidine compound 上海陶术生物科技有限公司 2024-05-03 CN disclosed