SCHEMBL20216792

SCHEMBL20216792

COc1cc2cccnc2cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.74
PDGFRA P16234 3/20 0.74
RIPK1 Q13546 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
SLC22A12 Q96S37 1/20 0.45
TLR8 Q9NR97 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PDE10A Q9Y233 1/20 0.44
IRAK1 P51617 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3896160 0.93 PDGFRB (0.74) PDGFRBPDGFRARIPK1ALDH1A1MEN1
SCHEMBL31187502 0.93 PDGFRB (0.74) PDGFRBPDGFRARIPK1ALDH1A1MEN1
SCHEMBL4299023 0.85 PDGFRB (1.00) PDGFRBPDGFRAALDH1A1TLR8NPC1
Hydrochloric Acid SCHEMBL29357672 0.84 PDGFRB (0.96) PDGFRBPDGFRAALDH1A1TLR8NPC1
SCHEMBL28828230 0.81 PDGFRB (0.53) PDGFRBPDGFRAALDH1A1MEN1CASP1
SCHEMBL244602 0.81 PDGFRB (0.77) PDGFRBPDGFRAALDH1A1MEN1CASP1
SCHEMBL28157133 0.80 PDGFRB (0.51) PDGFRBPDGFRAALDH1A1MEN1CASP1
SCHEMBL16431663 0.80 PDGFRB (0.70) PDGFRBPDGFRAALDH1A1MEN1CASP1
SCHEMBL6608733 0.79 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1MEN1CASP1
SCHEMBL30074619 0.79 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1ALOX15HTT

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
EP-3329918-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2018-06-06 EP disclosed
CN-107778287-A A kind of compound as tyrosine protein kinase inhibitor 南昌弘益药业有限公司 2018-03-09 CN disclosed
CN-107151240-A Polysubstituted carbostyril compound of one class and its production and use 中国科学院上海药物研究所 2017-09-12 CN disclosed