SCHEMBL23508346

SCHEMBL23508346

C[S+]([O-])c1nc(NCc2nc3cc(Cl)ccc3[nH]2)n2ncc(Br)c2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
CDK2 P24941 4/20 0.33
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
GSK3B P49841 4/20 0.32
HRH4 Q9H3N8 2/20 0.32
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30

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
SCHEMBL23508341 0.90 CDK2 (0.33) CDK2KLK1KLK5GSK3B
SCHEMBL23508247 0.89 GSK3B (0.33) CDK2GSK3B
SCHEMBL23497790 0.88 KLK1 (0.36) CDK2KLK1KLK5GSK3BCSNK1D
SCHEMBL23508064 0.83 GSK3B (0.36) PTGS2CDK2KLK1KLK5GSK3B
SCHEMBL23508347 0.82 GSK3B (0.34) PTGS2CDK2KLK1KLK5GSK3B
SCHEMBL23508421 0.80 CSNK1D (0.48) CDK2GSK3BHRH4CSNK1DCSNK1E
SCHEMBL23508316 0.80 CACNA1H (0.35) CDK2GSK3BHRH4
SCHEMBL23508237 0.78 CSNK1E (0.48) GSK3BCSNK1DCSNK1E
SCHEMBL25140202 0.77 SMN1; SMN2 (0.31) KLK1KLK5
SCHEMBL23508299 0.73 GSK3B (0.36) CDK2KLK1KLK5GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073072-A1 PYRAZOLOTRIAZINES Bayer Aktiengesellschaft (DE) 2022-10-19 EP disclosed
CN-115023427-A Pyrazolotriazines 拜耳公司 2022-09-06 CN disclosed
WO-2021116178-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-17 WO disclosed