SCHEMBL28501346

SCHEMBL28501346

CC1(C)OB(c2ccc(-c3nc4c(c(=O)[nH]3)COCC4)cc2)OC1(C)C

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 17/20 0.67
WNT3A P56704 13/20 0.67
TNKS O95271 5/20 0.49
PARP1 P09874 1/20 0.40
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39

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
SCHEMBL21217938 0.84 WNT3A (0.44) TNKS2WNT3ATNKSLPLLIPG
SCHEMBL27436974 0.81 TNKS2 (0.62) TNKS2WNT3ATNKSPARP1LPL
SCHEMBL27438220 0.81 TNKS2 (0.61) TNKS2WNT3ATNKSPARP1LPL
SCHEMBL28493033 0.78 TNKS2 (1.00) TNKS2WNT3ATNKSPARP1
SCHEMBL7783542 0.78 TNKS2 (0.76) TNKS2WNT3ATNKS
SCHEMBL27440360 0.73 TNKS2 (0.52) TNKS2WNT3ATNKSPARP1
SCHEMBL30870702 0.73 TNKS2 (0.52) TNKS2WNT3ATNKSPARP1
SCHEMBL27439532 0.72 TNKS2 (0.56) TNKS2WNT3ATNKSPARP1
SCHEMBL25320624 0.71 TNKS (0.61) TNKS2WNT3ATNKSPARP1LPL
SCHEMBL27439660 0.70 TNKS2 (0.48) TNKS2WNT3ATNKSPARP1LPL

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
CN-107286169-B Tankyrase inhibitors 北京四环制药有限公司 2020-11-24 CN disclosed