SCHEMBL15775605

SCHEMBL15775605

COc1nc(-c2cccc(Cl)c2)cc2c(N)cccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.53
SQOR Q9Y6N5 4/20 0.42
F2RL3 Q96RI0 1/20 0.41
TACR3 P29371 1/20 0.40
DHPS P49366 1/20 0.39
MAP4K4 O95819 2/20 0.39
NOTUM Q6P988 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
PFKFB3 Q16875 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL15775799 0.85 SQOR (0.54) NR1I3SQORMAP4K4TLR8
SCHEMBL15775195 0.81 HSP90AA1 (0.47) NR1I3
SCHEMBL15775748 0.81 SQOR (0.53) SQOR
SCHEMBL15775442 0.81 SQOR (0.48) SQOR
SCHEMBL15775546 0.81 XDH (0.47) SQORF2RL3TLR8
SCHEMBL15775389 0.80 ESR1 (0.45) SQORTACR3
SCHEMBL15775156 0.79 NR1I3 (0.48) NR1I3SQORF2RL3TACR3PDGFRB
SCHEMBL15775484 0.78 L3MBTL1 (0.48) NR1I3SQORTACR3
SCHEMBL15775449 0.78 L3MBTL1 (0.48) NR1I3SQORTACR3
SCHEMBL15775763 0.76 SQOR (0.49) SQOR

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