SCHEMBL9730543

SCHEMBL9730543

C=CCc1ncc2c(-c3ccccc3)cccn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.35
MET P08581 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 0.35
RPS6KA3 P51812 1/20 0.35
MST1R Q04912 1/20 0.35
TYRO3 Q06418 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALK Q9UM73 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL9655128 0.72 KDM4E (0.42) RETMETLTKGRK5CDK8
SCHEMBL11212892 0.64 ADRB2 (0.39) L3MBTL1ALDH1A1KDM4EKMT2AADRB2
SCHEMBL170787 0.63 DPP4 (0.54) RETMETLTKCDK8LRRK2
SCHEMBL28758160 0.62 DPP4 (0.52) RETMETLTKCDK8LRRK2
SCHEMBL27684898 0.62 DPP4 (0.52) RETMETLTKCDK8LRRK2
Water SCHEMBL821345 0.62 DPP4 (0.52) RETMETLTKCDK8LRRK2
Biphenyl SCHEMBL7928631 0.62 DPP4 (0.52) RETMETLTKCDK8LRRK2
SCHEMBL27886719 0.62 GABRA1 (0.47) RETMETLTKCDK8LRRK2
SCHEMBL3125568 0.61 GABRA1 (0.50) RETMETLTKCDK8LRRK2
SCHEMBL4078175 0.61 KDM4E (0.65) ALDH1A1KDM4EMEN1KMT2ARAB9A

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
US-5171859-A Certain 2-aminomethyl-3-phenyl-pyridine intermediates for certain 8-phenyl-imidazo[1,5-a]pyridines SCHERING A.G. (DE) 1992-12-15 US disclosed