SCHEMBL8468388

SCHEMBL8468388

O=C1Nc2ccccc2/C1=C\c1c[nH]c2ccncc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.73
FLT3 P36888 4/20 0.73
ALK Q9UM73 3/20 0.73
RET P07949 3/20 0.73
PRKD3 O94806 2/20 0.73
ABL1 P00519 2/20 0.73
PDGFRB P09619 2/20 0.73
LTK P29376 2/20 0.73
KDR P35968 2/20 0.73
CSNK1A1 P48729 2/20 0.73
CDK7 P50613 2/20 0.73
MAP2K1 Q02750 2/20 0.73
MST1R Q04912 2/20 0.73
NTRK3 Q16288 2/20 0.73
NTRK2 Q16620 2/20 0.73
AURKB Q96GD4 2/20 0.73
CLK4 Q9HAZ1 2/20 0.73
CDK5 Q00535 2/20 0.73
RPS6KA3 P51812 2/20 0.73
DAPK3 O43293 1/20 0.73

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
SCHEMBL8468389 1.00 NTRK1 (0.73) NTRK1FLT3ALKRETPRKD3
SCHEMBL1980864 0.84 NTRK1 (1.00) NTRK1FLT3ALKRETPRKD3
SCHEMBL1980862 0.84 NTRK1 (1.00) NTRK1FLT3ALKRETPRKD3
SCHEMBL14448886 0.84 NTRK1 (1.00) NTRK1FLT3ALKRETPRKD3
SCHEMBL857064 0.79 CHEK1 (1.00) NTRK1FLT3ALKRETPRKD3
SCHEMBL8464117 0.79 CHEK1 (1.00) NTRK1FLT3ALKRETPRKD3
SCHEMBL8464120 0.79 CHEK1 (1.00) NTRK1FLT3ALKRETPRKD3
SCHEMBL5473156 0.78 NTRK1 (0.73) NTRK1FLT3ALKRETPRKD3
SCHEMBL14448936 0.78 NTRK1 (0.73) NTRK1FLT3ALKRETPRKD3
SCHEMBL5476404 0.78 NTRK1 (0.73) NTRK1FLT3ALKRETPRKD3

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
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP claimed