SCHEMBL7832356

SCHEMBL7832356

Brc1cnn2c(OCc3ccncc3)cc(-c3ccsc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.47
▸ GSK3B P49841 5/20 0.41
▸ CCNE1 P24864 5/20 0.40
▸ CHEK1 O14757 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 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
SCHEMBL7835008 0.82 GSK3B (0.57) CDK2GSK3BCCNE1
SCHEMBL7833604 0.81 CDK2 (0.47) CDK2GSK3BCCNE1CHEK1CCNA2
SCHEMBL7829217 0.77 GSK3B (0.58) CDK2GSK3BCCNE1
SCHEMBL8571772 0.74 GSK3B (0.42) CDK2GSK3BCCNE1
SCHEMBL7835136 0.74 CDK2 (0.41) CDK2GSK3BCCNE1
SCHEMBL7835614 0.74 CDK2 (0.41) CDK2GSK3BCCNE1
SCHEMBL7832339 0.73 GSK3B (0.43) CDK2GSK3BCCNE1
SCHEMBL7820733 0.73 CDK2 (0.45) CDK2GSK3BCCNE1
SCHEMBL12953912 0.73 GSK3B (0.76) CDK2GSK3BCCNE1
SCHEMBL7829710 0.72 GSK3B (0.41) CDK2GSK3BCCNE1

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-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 — — EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 — — US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 — — EP disclosed
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