SCHEMBL15775972

SCHEMBL15775972

Cc1ccc(-c2nc(=O)c3cccnc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.51
TNKS2 Q9H2K2 5/20 0.51
PARP1 P09874 5/20 0.51
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
AURKA O14965 1/20 0.44
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 1/20 0.41
KDR P35968 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
FEN1 P39748 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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) TNKSTNKS2PARP1ALDH1A1TSHR
SCHEMBL15775287 0.85 TNKS (0.51) TNKSTNKS2PARP1ALDH1A1NPC1
SCHEMBL15775720 0.82 TNKS (0.54) TNKSTNKS2PARP1RAB9AMAPT
SCHEMBL15775687 0.77 TNKS (0.59) TNKSTNKS2PARP1ALDH1A1NPC1
SCHEMBL15775973 0.77 TNKS (0.62) TNKSTNKS2PARP1RAB9AAURKA
SCHEMBL3058184 0.76 METAP2 (0.58) PARP1ALDH1A1NPC1LMNARAB9A
SCHEMBL15775324 0.75 TNKS (0.61) TNKSTNKS2PARP1
SCHEMBL15775256 0.73 ACHE (0.49) TNKSTNKS2PARP1ALDH1A1NPC1
SCHEMBL15775358 0.73 AURKA (0.46) TNKSTNKS2PARP1ALDH1A1NPC1
SCHEMBL3246330 0.73 AURKA (0.53) PARP1ALDH1A1AURKAADORA2AADORA1

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