SCHEMBL26204751

SCHEMBL26204751

CCc1cnc(N)c2cn[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

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
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
METAP2 P50579 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DHFR P00374 3/20 0.33
MAP3K12 Q12852 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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

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
SCHEMBL25920026 0.81 RET (0.43) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL25898919 0.76 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL1482228 0.73 RET (0.44) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL21579421 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL30515856 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL21579418 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL30515967 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL20176891 0.71 KDM4E (0.45) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL25908871 0.71 RET (0.43) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL15629902 0.71 MAPT (0.36) RETPI4KAXDHLRRK2PI4K2B

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