SCHEMBL30375181

SCHEMBL30375181

COc1ccc2c(-c3nc(Cl)ncc3Cl)c[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.52
GSK3B P49841 2/20 0.52
RPS6KA5 O75582 2/20 0.50
PDE4B Q07343 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CLK1 P49759 1/20 0.45
PDGFRB P09619 1/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR2A P28223 1/20 0.41
MAP3K14 Q99558 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDO2 P48775 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL20680053 1.00 DYRK1A (0.52) DYRK1AGSK3BRPS6KA5PDE4BCDK4
SCHEMBL17141093 0.90 MAP3K14 (0.52) DYRK1ARPS6KA5PDE4BCLK1MAPT
SCHEMBL19532565 0.89 DYRK1A (0.51) DYRK1AGSK3BPDE4BCDK4CCND1
SCHEMBL30261038 0.85 GSK3B (0.47) DYRK1AGSK3BPDE4BCDK4CCND1
SCHEMBL17683297 0.85 GSK3B (0.47) DYRK1AGSK3BPDE4BCDK4CCND1
SCHEMBL20680088 0.83 RPS6KA5 (0.53) RPS6KA5CLK1MAP3K14MEN1KMT2A
SCHEMBL30554773 0.83 RPS6KA5 (0.53) RPS6KA5CLK1MAP3K14MEN1KMT2A
SCHEMBL21629016 0.83 RPS6KA5 (0.56) DYRK1AGSK3BRPS6KA5CLK1MAP3K14
SCHEMBL30554764 0.83 RPS6KA5 (0.56) DYRK1AGSK3BRPS6KA5CLK1MAP3K14
SCHEMBL29990756 0.82 DYRK1A (0.50) DYRK1AGSK3BPDE4BCDK4CCND1

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-116102575-B Cyclic 2-aminopyrimidine compound and application thereof 暨南大学 2025-01-17 CN disclosed
CN-116102575-A Cyclic 2-aminopyrimidine compound and application thereof 暨南大学 2023-05-12 CN disclosed