SCHEMBL25899020

SCHEMBL25899020

Cc1cnc(N)c2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RET P07949 1/20 0.42
PI4KA P42356 1/20 0.42
XDH P47989 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
HTT P42858 2/20 0.35
PTK2 Q05397 1/20 0.35
PDPK1 O15530 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
ALDH1A1 P00352 4/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL25898919 0.84 RET (0.47) MAPTRETPI4KAXDHLRRK2
SCHEMBL25926176 0.77 RET (0.40) MAPTRETPI4KAXDHLRRK2
SCHEMBL21579418 0.72 RET (0.47) MAPTRETPI4KAXDHLRRK2
SCHEMBL30515856 0.72 RET (0.47) MAPTRETPI4KAXDHLRRK2
SCHEMBL15717018 0.72 MAPT (0.52) MAPTRETPI4KAXDHLRRK2
SCHEMBL25899116 0.71 HTT (0.42) MAPTRETPI4KAXDHLRRK2
SCHEMBL6127809 0.70 MAPT (0.48) MAPTXDHNOS1HTTPTK2
SCHEMBL15669999 0.69 HTT (0.41) MAPTRETPI4KAXDHLRRK2
SCHEMBL1482228 0.69 RET (0.44) MAPTRETPI4KAXDHLRRK2
SCHEMBL20176891 0.68 KDM4E (0.45) MAPTRETPI4KAXDHLRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed