SCHEMBL7832777

SCHEMBL7832777

Brc1cnn2c(Oc3ccccc3)cc(-c3ccco3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.50
▸ CDK2 P24941 2/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CASP1 P29466 3/20 0.40
▸ CASP7 P55210 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL7830317 0.90 GSK3B (0.48) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL7835695 0.90 GSK3B (0.48) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL7832024 0.88 GSK3B (0.46) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL7829836 0.84 GSK3B (0.47) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL7832884 0.83 GSK3B (0.50) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL7833824 0.83 GSK3B (0.55) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL7832766 0.81 GSK3B (0.46) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL7832694 0.78 GSK3B (0.50) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL14043300 0.78 GSK3B (0.55) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL12953212 0.78 GSK3B (0.58) GSK3BCDK2CHEK1CCNA2CCNA1

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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