SCHEMBL25899016

SCHEMBL25899016

Cc1cncc2c(N)nccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.47
NOS3 P29474 8/20 0.47
NOS1 P29475 5/20 0.42
PLAU P00749 2/20 0.39
F12 P00748 1/20 0.39
NCF1 P14598 1/20 0.39
BACE1 P56817 1/20 0.39
TBK1 Q9UHD2 1/20 0.36
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPT P10636 1/20 0.33
MAP4K4 O95819 1/20 0.33
AXL P30530 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2B Q92831 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
SCHEMBL17068258 0.84 TBK1 (0.46) NOS2NOS3NOS1PLAUTBK1
SCHEMBL18266945 0.79 CYP2A6 (0.42) NOS2NOS3PLAUCCR1CCR5
SCHEMBL25323204 0.76 NOS3 (0.39) NOS2NOS3NOS1PLAUF12
SCHEMBL30551090 0.76 AXL (0.48) NOS2NOS3NOS1PLAUF12
SCHEMBL25323059 0.76 AXL (0.48) NOS2NOS3NOS1PLAUF12
SCHEMBL30551124 0.76 NOS3 (0.39) NOS2NOS3NOS1PLAUF12
SCHEMBL24493088 0.76 NOS3 (0.36) NOS2NOS3NOS1PLAUF12
SCHEMBL16006827 0.73 CYP1A2 (0.54) NOS2NOS3NOS1PLAUF12
SCHEMBL24493090 0.70 NOS2 (0.48) NOS2NOS3NOS1PLAUF12
SCHEMBL18266944 0.69 CCR1 (0.32) CCR1CCR5CCR8

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