SCHEMBL17469659

SCHEMBL17469659

N=C(N)c1ccc(NNNc2cccc(C#Cc3ccccn3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.40
ASIC3 Q9UHC3 1/20 0.40
ERN1 O75460 1/20 0.39
PLAU P00749 1/20 0.38
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL17469729 0.81 TMPRSS2 (0.51) GRM5ASIC3ERN1PDGFRBKDR
SCHEMBL7346923 0.74 ASIC3 (0.68) GRM5ASIC3ERN1PLAU
SCHEMBL25280998 0.74 PDGFRB (0.55) GRM5PDGFRBKDRIKBKB
SCHEMBL30563484 0.74 PDGFRB (0.55) GRM5PDGFRBKDRIKBKB
SCHEMBL25841112 0.72 GRM5 (0.49) GRM5ERN1
SCHEMBL25845879 0.71 PDGFRB (0.57) GRM5PDGFRBKDRIKBKB
SCHEMBL25231590 0.70 KDR (0.59) GRM5PDGFRBKDR
SCHEMBL25231184 0.70 PDGFRB (0.56) GRM5TACR2TACR1PDGFRBKDR
SCHEMBL25244359 0.70 PDGFRB (0.61) GRM5PDGFRBKDRHAO1
SCHEMBL25232365 0.70 GRM5 (0.68) GRM5TACR2TACR1PDGFRBKDR

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-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO disclosed