SCHEMBL24901352

SCHEMBL24901352

CNc1ccc(C#Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.41
PTK2 Q05397 4/20 0.41
MAPK9 P45984 3/20 0.41
TERT O14746 1/20 0.40
PIK3C2B O00750 3/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 2/20 0.39
PIK3R1 P27986 1/20 0.39
ACLY P53396 1/20 0.38
SLC16A3 O15427 1/20 0.38
GAA P10253 1/20 0.38
ACACB O00763 1/20 0.38
FLT3 P36888 1/20 0.38
PRKDC P78527 2/20 0.37
PIK3CG P48736 2/20 0.37
MTOR P42345 1/20 0.37
PIK3CA P42336 1/20 0.37
AR P10275 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
SCHEMBL24893397 0.88 MEN1 (0.41) MAPK10PTK2MAPK9TERTPIK3C2B
SCHEMBL24901336 0.87 TERT (0.41) MAPK10MAPK9TERTPIK3CDPIK3CB
SCHEMBL24901281 0.86 ACACB (0.48) TERTPIK3CDPIK3CBACLYSLC16A3
SCHEMBL24901428 0.85 PRKDC (0.46) TERTPIK3CDPIK3CBACLYSLC16A3
SCHEMBL24893374 0.76 MEN1 (0.43) MAPK10MAPK9TERTACLYSLC16A3
SCHEMBL15924738 0.75 PRKDC (0.54) PIK3C2BPIK3CDPIK3CBPIK3R1ACLY
SCHEMBL24901420 0.75 MAPT (0.43) GAA
SCHEMBL24901360 0.74 MAPT (0.44)
SCHEMBL24901393 0.74 ADK (0.50) PIK3CA
SCHEMBL24901299 0.73 KDM4E (0.49) ACACBPIK3CA

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
EP-4119138-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2023-01-18 EP disclosed