SCHEMBL7783542

SCHEMBL7783542

O=c1[nH]c(-c2ccccc2)nc2c1COCC2

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 19/20 0.76
WNT3A P56704 12/20 0.76
TNKS O95271 4/20 0.56
MTHFD2 P13995 1/20 0.48

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
SCHEMBL28493033 0.86 TNKS2 (1.00) TNKS2WNT3ATNKS
SCHEMBL1033822 0.82 TNKS2 (0.55) TNKS2WNT3ATNKSMTHFD2
SCHEMBL1032502 0.79 TNKS2 (0.68) TNKS2WNT3ATNKSMTHFD2
SCHEMBL9070566 0.79 TNKS (0.63) TNKS2WNT3ATNKSMTHFD2
SCHEMBL28501346 0.78 TNKS2 (0.67) TNKS2WNT3ATNKS
SCHEMBL14344503 0.75 MTHFD2 (0.49) TNKS2WNT3ATNKSMTHFD2
SCHEMBL1035636 0.75 PARP1 (0.53) TNKS2WNT3ATNKSMTHFD2
SCHEMBL7783581 0.74 TNKS2 (0.70) TNKS2WNT3ATNKSMTHFD2
SCHEMBL7301214 0.73 TNKS2 (0.43) TNKS2WNT3ATNKS
SCHEMBL1032810 0.73 TNKS2 (0.46) TNKS2WNT3ATNKSMTHFD2

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-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed