SCHEMBL6589577

SCHEMBL6589577

O=c1[nH]nc(-c2c[nH]c3ccccc23)n1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDK4 P11802 5/20 0.43
CDK6 Q00534 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HSP90AA1 P07900 5/20 0.42
PDGFRB P09619 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKD3 O94806 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
ABL1 P00519 1/20 0.40
PRKCG P05129 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
SCHEMBL6590140 0.79 CDK4 (0.52) MAPK1TDP1CDK4CDK6ALDH1A1
SCHEMBL7004515 0.78 SIRT2 (0.43) TDP1CDK4ALDH1A1GAAPDGFRB
SCHEMBL12045736 0.77 HSP90AA1 (0.72) TDP1ALDH1A1KDM4EHSP90AA1POLB
SCHEMBL13808327 0.76 HSP90AA1 (0.60) HSP90AA1
SCHEMBL13983107 0.75 HSP90AA1 (0.62) TDP1HSP90AA1HCAR1
SCHEMBL13983148 0.75 HSP90AA1 (0.65) TDP1HSP90AA1HCAR1
SCHEMBL13983100 0.74 HSP90AA1 (0.46) TDP1ALDH1A1GAAHSP90AA1POLB
SCHEMBL12045810 0.73 HSP90AA1 (0.60) HSP90AA1
SCHEMBL8185947 0.73 TDP1 (0.44) MAPK1TDP1ALDH1A1KDM4EPOLB
SCHEMBL7822667 0.71 CDK4 (0.41) CDK4CDK6GAAPDGFRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed