SCHEMBL7694409

SCHEMBL7694409

O=C(O)N1C(=O)C(=Cc2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.52
RET P07949 2/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
CSF1R P07333 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
LTK P29376 1/20 0.52
GRK5 P34947 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
MAPK8 P45983 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CDK7 P50613 1/20 0.52
RPS6KA3 P51812 1/20 0.52
LIMK1 P53667 1/20 0.52

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
SCHEMBL5478687 0.84 NTRK1 (0.55) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL14448859 0.84 NTRK1 (0.55) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL5478682 0.84 NTRK1 (0.55) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL5468602 0.83 MAPT (0.47) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL5468598 0.83 MAPT (0.47) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL14448846 0.83 MAPT (0.47) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL7783118 0.81 NTRK1 (0.55) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL27175573 0.79 ACHE (0.55) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL5822217 0.73 NTRK1 (0.46) NTRK1RETDAPK3PRKD3MAP4K4
SCHEMBL5822216 0.73 NTRK1 (0.46) NTRK1RETDAPK3PRKD3MAP4K4

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-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed