SCHEMBL29174253

SCHEMBL29174253

N#Cc1cc(Br)cnc1N.N#Cc1cc(C2CC2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
MAP3K12 Q12852 5/20 0.34
MAPK1 P28482 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
JAK2 O60674 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAP4K1 Q92918 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ABL1 P00519 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL21355413 0.91 TNKS (0.52) TNKSTNKS2HTTKMT2AMAP3K12
SCHEMBL29174308 0.88 HTT (0.49) TNKSTNKS2HTTKMT2AMAP3K12
SCHEMBL30868243 0.84 TNKS (0.47) TNKSTNKS2HTTMAP3K12MAPK1
SCHEMBL30217691 0.84 HTT (0.54) HTTKMT2ACYP11B1CYP11B2JAK2
SCHEMBL322329 0.84 HTT (0.54) HTTKMT2ACYP11B1CYP11B2JAK2
SCHEMBL16456396 0.84 TNKS (0.50) TNKSTNKS2HTTMAP3K12MAPK1
SCHEMBL16442375 0.81 TNKS (0.45) TNKSTNKS2HTT
SCHEMBL16456383 0.80 TNKS (0.47) TNKSTNKS2MAP3K12MAPK1KDM4E
Hydrochloric Acid SCHEMBL17866318 0.79 TNKS (0.44) TNKSTNKS2HTT
SCHEMBL2250114 0.72 HTT (0.52) TNKSTNKS2HTTKMT2AMAPK1

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-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed