SCHEMBL29205334

SCHEMBL29205334

COc1ccc2c(NN)ccnc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.70
ADRA1D P25100 3/20 0.70
ADRA1A P35348 3/20 0.70
ADRA1B P35368 3/20 0.70
FERMT2 Q96AC1 1/20 0.68
RIPK2 O43353 3/20 0.60
GAK O14976 2/20 0.60
COQ8A Q8NI60 2/20 0.60
NLK Q9UBE8 2/20 0.60
KDR P35968 4/20 0.50
CLK2 P49760 3/20 0.50
HIPK4 Q8NE63 3/20 0.50
SRPK1 Q96SB4 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
STK17A Q9UEE5 3/20 0.50
MAP4K5 Q9Y4K4 2/20 0.50
MAP4K4 O95819 2/20 0.50
ROS1 P08922 2/20 0.50
CDK2 P24941 2/20 0.50
CDK5 Q00535 2/20 0.50

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
SCHEMBL3064565 0.87 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31673817 0.85 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL25466634 0.79 GAK (0.70) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL29205284 0.79 EGFR (0.64) RIPK2GAKCOQ8ANLKACVR1
SCHEMBL2205672 0.79 GAK (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL3841526 0.78 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL16596283 0.78 HTR1A (0.84) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL19633676 0.78 GAK (0.68) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8145365 0.78 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL25466706 0.77 GAK (0.67) HTR1AADRA1DADRA1AADRA1BFERMT2

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
CN-117999075-A Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof 吉斯莫治疗股份有限公司 2024-05-07 CN disclosed