SCHEMBL5225978

SCHEMBL5225978

COc1ccc(-n2nc(OC(=O)O)c3ccc4[nH]ncc4c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.42
CCNA2 P20248 6/20 0.42
CCNA1 P78396 6/20 0.42
TRPV1 Q8NER1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PDE4D Q08499 1/20 0.37
RPA1 P27694 1/20 0.37
CCNE1 P24864 1/20 0.37
MAPT P10636 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5230295 0.84 CCNA2 (0.53) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5228781 0.81 CCNA2 (0.54) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL12886440 0.79 CDK2 (0.46) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5225870 0.79 CDK2 (0.56) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5228034 0.79 GAA (0.44) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5229147 0.78 CCNA2 (0.56) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5229613 0.78 CCNA2 (0.57) CDK2CCNA2CCNA1TRPV1PDE4D
SCHEMBL5231857 0.77 CCNA2 (0.46) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5230183 0.76 MAPT (0.46) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5228539 0.75 CCNA2 (0.43) CDK2CCNA2CCNA1TRPV1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed