SCHEMBL30923912

SCHEMBL30923912

COc1ncnc(NC2CCC(O)CC2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TYRO3 Q06418 5/20 0.38
MERTK Q12866 5/20 0.38
GAS6 Q14393 4/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
FLT3 P36888 3/20 0.38
AXL P30530 2/20 0.38
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL30923897 0.76 BTK (0.45) BTKMAPK8MAPK9IRAK4
SCHEMBL30923890 0.74 FLT3 (0.49) EGFRTYRO3MERTKGAS6FLT3
SCHEMBL8599315 0.73 POLB (0.46)
SCHEMBL24344307 0.72 CYP3A4 (0.45) EGFRIRAK4
SCHEMBL24344303 0.71 IRAK4 (0.43) EGFRIRAK4
SCHEMBL29534716 0.71 IRAK4 (0.43) EGFRIRAK4
SCHEMBL29164534 0.67 SIRT5 (0.47)
SCHEMBL30892313 0.66 MAPK8 (0.65) TYRO3MERTKGAS6MAPK8MAPK9
SCHEMBL18113766 0.66 ALDH1A1 (0.42)
SCHEMBL17167992 0.65 MERTK (0.47) TYRO3MERTKGAS6MAPK8MAPK9

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-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed