SCHEMBL28112787

SCHEMBL28112787

O=C1c2ncc(Br)cc2-c2cc(Br)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL22066823 0.86 KMT2A (0.41) DYRK1AAURKADAPK3JAK2PRKD3
SCHEMBL29407380 0.86 S100A4 (0.44) DYRK1AAURKADAPK3JAK2PRKD3
SCHEMBL6347385 0.86 S100A4 (0.44) DYRK1AAURKADAPK3JAK2PRKD3
SCHEMBL30029120 0.76 NPSR1 (0.41) DYRK1AAURKADAPK3JAK2PRKD3
SCHEMBL20672203 0.76 NPSR1 (0.41) DYRK1AAURKADAPK3JAK2PRKD3
SCHEMBL28112338 0.76 NPC1 (0.42) MAP4K4FYNS100A4KMT2ACDC25B
SCHEMBL29291251 0.74 S100A4 (0.40) DYRK1AAURKADAPK3JAK2PRKD3
SCHEMBL4073817 0.74 DYRK1A (0.35) DYRK1AAURKADAPK3JAK2PRKD3
SCHEMBL13292088 0.73 TDP2 (0.66) ABL1S100A4KMT2ACDC25BPTPRC
SCHEMBL22065879 0.73 GAA (0.66) ABL1S100A4KMT2ACDC25BPTPRC

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-107068887-B A kind of organic electroluminescence device and its application 中节能万润股份有限公司 2018-10-02 CN disclosed
CN-107068887-A A kind of organic electroluminescence device and its application 中节能万润股份有限公司 2017-08-18 CN disclosed
CN-106188037-A A kind of compound based on 1,8-diaza-9-Fluorenone and application thereof 中节能万润股份有限公司 2016-12-07 CN disclosed