SCHEMBL25530225

SCHEMBL25530225

C=C(NNc1ccccn1)C1COCC(Nc2ncc(C(F)(F)F)c(CC3CCC3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 7/20 0.37
MAPK3 P27361 9/20 0.36
PTK2 Q05397 3/20 0.34
MAPK1 P28482 1/20 0.34
ULK2 Q8IYT8 1/20 0.32
PIK3C3 Q8NEB9 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
SCHEMBL25530256 0.90 MAPK3 (0.42) ULK1MAPK3PTK2ULK2PIK3C3
SCHEMBL25209416 0.73 GRM5 (0.38) ULK1MAPK3PTK2MAPK1
SCHEMBL30397703 0.73 GRM5 (0.38) ULK1MAPK3PTK2MAPK1
SCHEMBL25530170 0.71 ULK1 (0.49) ULK1MAPK3PTK2PIK3C3
SCHEMBL25526333 0.69 ULK1 (0.48) ULK1MAPK3PTK2PIK3C3
SCHEMBL25531917 0.65 ULK1 (0.46) ULK1MAPK3PTK2ULK2PIK3C3
SCHEMBL25532521 0.64 CCNK (0.51) ULK1MAPK3PTK2PIK3C3
SCHEMBL21184490 0.59 ULK1 (0.63) ULK1PTK2ULK2
SCHEMBL25516292 0.59 ULK1 (0.38) ULK1ULK2PIK3C3
SCHEMBL30397931 0.58 CDK2 (0.41) ULK1MAPK3PTK2MAPK1

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed