SCHEMBL15775287

SCHEMBL15775287

O=c1nc(-c2ccc(Cl)cc2)[nH]c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.51
TNKS2 Q9H2K2 4/20 0.51
PARP2 Q9UGN5 3/20 0.51
GUSB P08236 1/20 0.51
PARP1 P09874 2/20 0.47
AURKA O14965 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPY5R Q15761 2/20 0.41
MAPT P10636 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
SCHEMBL15776205 0.86 ADORA2A (0.55) TNKSTNKS2PARP1AURKAALDH1A1
SCHEMBL15775972 0.85 TNKS (0.51) TNKSTNKS2PARP1AURKAALDH1A1
SCHEMBL15775720 0.82 TNKS (0.54) TNKSTNKS2PARP2PARP1RAB9A
SCHEMBL3246330 0.79 AURKA (0.53) PARP1AURKAALDH1A1ADORA2AADORA1
SCHEMBL9692278 0.78 KDM4E (0.54) TNKSTNKS2PARP2GUSBMAPK1
SCHEMBL8618923 0.77 TNKS (0.59) TNKSTNKS2PARP2GUSBPARP1
Methane SCHEMBL9692076 0.77 KDM4E (0.53) TNKSTNKS2PARP2GUSBMAPK1
SCHEMBL15775288 0.77 TNKS (0.62) TNKSTNKS2PARP2GUSBPARP1
SCHEMBL3058184 0.76 METAP2 (0.58) PARP1AURKAALDH1A1HPGDKDM4E
SCHEMBL15775257 0.73 ALDH1A1 (0.60) TNKSTNKS2PARP2GUSBPARP1

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