SCHEMBL25530256

SCHEMBL25530256

C=C(NNc1ccccn1)C1CCCC(Nc2ncc(C(F)(F)F)c(CC3CCC3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 7/20 0.42
ULK1 O75385 6/20 0.41
PTK2 Q05397 2/20 0.37
EGFR P00533 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.34
ULK2 Q8IYT8 1/20 0.34
CCNT1 O60563 2/20 0.34
CCNK O75909 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CDK9 P50750 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33

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
SCHEMBL25530225 0.90 ULK1 (0.37) MAPK3ULK1PTK2PIK3C3ULK2
SCHEMBL25530170 0.79 ULK1 (0.49) MAPK3ULK1PTK2EGFRPIK3C3
SCHEMBL25531917 0.70 ULK1 (0.46) MAPK3ULK1PTK2PIK3C3ULK2
SCHEMBL25532521 0.69 CCNK (0.51) MAPK3ULK1PTK2PIK3C3CCNT1
SCHEMBL25526333 0.67 ULK1 (0.48) MAPK3ULK1PTK2PIK3C3CCNT1
SCHEMBL25209416 0.64 GRM5 (0.38) MAPK3ULK1PTK2CCNT1CCNK
SCHEMBL30397703 0.64 GRM5 (0.38) MAPK3ULK1PTK2CCNT1CCNK
SCHEMBL21184490 0.63 ULK1 (0.63) ULK1PTK2ULK2CCNT1CCNK
SCHEMBL21184551 0.62 ULK1 (0.62) MAPK3ULK1PTK2PIK3C3ULK2
SCHEMBL17547443 0.62 ULK1 (1.00) ULK1ULK2

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