SCHEMBL28314031

SCHEMBL28314031

CNCl.COc1cc2ncccc2cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.57
PDGFRA P16234 1/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.55
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
IRAK4 Q9NWZ3 4/20 0.47
IRAK1 P51617 2/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SYK P43405 2/20 0.44
AURKA O14965 1/20 0.44
MAP3K7 O43318 1/20 0.44
FLT3 P36888 1/20 0.44
MCL1 Q07820 1/20 0.44
PLK1 P53350 1/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL29488239 0.93 PDGFRB (0.66) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL30616268 0.88 PDGFRB (0.66) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL28313242 0.85 PDGFRB (0.52) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL29812587 0.84 PDGFRB (0.60) PDGFRBPDGFRAALDH1A1KDM4EHSD17B10
SCHEMBL30448935 0.83 PDGFRB (0.64) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL23640270 0.82 PDGFRB (0.66) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL29535684 0.81 PDGFRB (0.64) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL23924017 0.81 PDGFRB (0.64) PDGFRBPDGFRAALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL27894607 0.80 PDGFRB (0.62) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL27597858 0.79 PDGFRB (0.57) PDGFRBPDGFRAALDH1A1KDM4EHPGD

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
CN-110049969-A Quinolines, preparation method and its medical usage 恩瑞生物医药科技(上海)有限公司 2019-07-23 CN disclosed