SCHEMBL25908871

SCHEMBL25908871

CC(C)(C)c1cnc(N)c2cn[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
PI4KA P42356 1/20 0.43
XDH P47989 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
MAP3K12 Q12852 2/20 0.33
MAPT P10636 1/20 0.33
PDPK1 O15530 1/20 0.33
DLK1 P80370 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 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
SCHEMBL17389154 0.79 METAP2 (0.33)
SCHEMBL25898919 0.76 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL1482228 0.73 RET (0.44) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL21579418 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL30515856 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL21579421 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL30515967 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL20176891 0.71 KDM4E (0.45) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL26204751 0.71 RET (0.43) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL25004053 0.68 KDM4E (0.43) PI4KAPI4K2BPI4K2API4KBMAPT

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-2023146991-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