SCHEMBL26018017

SCHEMBL26018017

CN1CCCc2c1nc(I)[nH]c2=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 20/20 0.48
▸ PARP1 P09874 20/20 0.48
▸ TNKS2 Q9H2K2 20/20 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
SCHEMBL20954788 0.81 TNKS (0.51) TNKSPARP1TNKS2
SCHEMBL26018436 0.80 POLB (0.40) TNKSPARP1TNKS2
SCHEMBL18058753 0.76 TNKS (0.65) TNKSPARP1TNKS2
SCHEMBL16701424 0.75 TNKS (0.61) TNKSPARP1TNKS2
SCHEMBL26026675 0.72 PARP1 (0.42) TNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL25362390 0.71 PARP1 (0.41) TNKSPARP1TNKS2
SCHEMBL16701410 0.71 TNKS (0.59) TNKSPARP1TNKS2
SCHEMBL20955731 0.71 TNKS (0.43) TNKSPARP1TNKS2
SCHEMBL25362218 0.70 TNKS (0.40) TNKSPARP1TNKS2
SCHEMBL26017983 0.69 TNKS (0.43) TNKSPARP1TNKS2

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
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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