SCHEMBL25899116

SCHEMBL25899116

Cc1ncc(C)c2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
PTK2 Q05397 1/20 0.42
MAPT P10636 1/20 0.37
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 1/20 0.33
PDPK1 O15530 1/20 0.33
METAP2 P50579 1/20 0.33
XDH P47989 2/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
RET P07949 1/20 0.32
PI4KA P42356 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
DRD1 P21728 3/20 0.32
TRPA1 O75762 1/20 0.32
BRAF P15056 1/20 0.32
EIF2AK3 Q9NZJ5 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
SCHEMBL15669999 0.81 HTT (0.41) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL16830110 0.79 NOS1 (0.41) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL25919746 0.79 NOS1 (0.41) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL25898919 0.79 RET (0.47) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL26204680 0.78 HSP90AA1 (0.36) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL25899017 0.76 PDPK1 (0.53) HTTPTK2MAPTALDH1A1PDPK1
SCHEMBL16276755 0.73 HTT (0.40) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL6127809 0.73 MAPT (0.48) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL20674133 0.71 HTT (0.35) HTTPTK2MAPTIDO1ALDH1A1
SCHEMBL25899020 0.71 MAPT (0.43) HTTPTK2MAPTIDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
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