SCHEMBL15775288

SCHEMBL15775288

O=c1[nH]c(-c2ccc(Cl)cc2)nc2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 0.62
TNKS2 Q9H2K2 8/20 0.62
PARP2 Q9UGN5 4/20 0.62
GUSB P08236 2/20 0.62
PARP1 P09874 4/20 0.57
HCAR2 Q8TDS4 8/20 0.56
CNR1 P21554 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
HCAR3 P49019 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL15775973 0.85 TNKS (0.62) TNKSTNKS2PARP2PARP1HCAR2
SCHEMBL14344541 0.85 HCAR2 (0.56) TNKSTNKS2PARP2GUSBPARP1
SCHEMBL15775723 0.82 TNKS2 (0.65) TNKSTNKS2PARP2PARP1HCAR2
SCHEMBL30897311 0.79 HPGD (0.68) TNKSTNKS2PARP1HCAR2ALDH1A1
SCHEMBL28693174 0.78 AURKA (0.68)
SCHEMBL20954965 0.78 HCAR2 (0.59) PARP1HCAR2HCAR3
Hydrochloric Acid SCHEMBL11772488 0.77 AURKA (0.66)
SCHEMBL8618931 0.77 TNKS (1.00) TNKSTNKS2PARP2GUSBPARP1
SCHEMBL15775287 0.77 TNKS (0.51) TNKSTNKS2PARP2GUSBPARP1
SCHEMBL16333375 0.76 HCAR2 (0.59) TNKSTNKS2PARP2PARP1HCAR2

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

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