SCHEMBL15775690

SCHEMBL15775690

Cc1cccc2c(=O)nc(-c3ccc(N)cc3)[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 15/20 0.63
TNKS2 Q9H2K2 15/20 0.63
PARP1 P09874 11/20 0.63
PARP2 Q9UGN5 4/20 0.46
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15775324 0.88 TNKS (0.61) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775475 0.87 TNKS (0.60) TNKSTNKS2PARP1PARP2ADORA2B
SCHEMBL15775249 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL15775352 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2ADORA2B
SCHEMBL15775947 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL15775472 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2KDM4E
Bromide SCHEMBL15775841 0.85 TNKS (0.65) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775351 0.83 TNKS (0.64) TNKSTNKS2PARP1PARP2ADORA2B
SCHEMBL15775482 0.83 PARP1 (0.63) TNKSTNKS2PARP1ADORA2BADORA1
SCHEMBL15775277 0.82 TNKS (0.65) TNKSTNKS2PARP1PARP2RAB9A

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed