SCHEMBL3363703

SCHEMBL3363703

COc1ccccc1-c1cncc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
DHFR P00374 1/20 0.47
MAP4K4 O95819 1/20 0.47
HSD17B10 Q99714 1/20 0.46
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
HSP90AA1 P07900 2/20 0.45
NTRK1 P04629 1/20 0.45
KIT P10721 1/20 0.45
PIK3CA P42336 1/20 0.45
ADORA2A P29274 1/20 0.44
HSP90AB1 P08238 1/20 0.44
FYN P06241 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9910946 0.81 PDGFRB (0.53) PDGFRBPDGFRACYP11B1CYP11B2HSD17B10
SCHEMBL3457094 0.81 NCOA1 (0.57) CHRNB4CHRNA3FEN1FYNKCNH2
SCHEMBL7391983 0.80 PDGFRB (0.51) PDGFRBPDGFRACYP11B1CYP11B2HSD17B10
SCHEMBL1119500 0.80 PDGFRB (0.51) PDGFRBPDGFRACYP11B1CYP11B2HSD17B10
SCHEMBL3399384 0.77 LCK (0.46) CHRNB4CHRNA3HSD17B10ALOX5APFEN1
SCHEMBL1039794 0.77 HTR7 (0.55) DHFRMAP4K4HSD17B10ALOX5APFEN1
SCHEMBL20812402 0.77 KIT (0.72) NTRK1KITPIK3CA
SCHEMBL6754272 0.77 CYP1A2 (0.54) PDGFRBPDGFRAHSD17B10ALDH1A1KDM4E
SCHEMBL2554408 0.76 PDGFRB (0.48) PDGFRBPDGFRACYP11B1CYP11B2ALDH1A1
SCHEMBL28047285 0.76 ERN1 (0.50) PDGFRBPDGFRACYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801931-B Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL SA 2014-05-14 CN disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed