SCHEMBL30397257

SCHEMBL30397257

FC(F)(F)c1cnc(N[C@@H]2CCC[C@H](c3nnc4n3CCC[C@H]4C(F)(F)F)C2)nc1OC1COC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.39
PTK2 Q05397 1/20 0.35
CDK2 P24941 4/20 0.34
KDR P35968 1/20 0.34
CDK1 P06493 1/20 0.33
CCNE1 P24864 3/20 0.32
MAPK3 P27361 8/20 0.32
CCNK O75909 4/20 0.31
CDK7 P50613 4/20 0.31
CCNH P51946 4/20 0.31
MNAT1 P51948 4/20 0.31
CDK12 Q9NYV4 4/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
HSD11B1 P28845 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL30397278 1.00 ULK1 (0.39) ULK1PTK2CDK2KDRCDK1
SCHEMBL30396969 1.00 ULK1 (0.39) ULK1PTK2CDK2KDRCDK1
SCHEMBL30397675 0.86 ULK1 (0.37) ULK1PTK2CDK2KDRCDK1
SCHEMBL30397175 0.85 ULK1 (0.36) ULK1PTK2CDK2KDRCDK1
SCHEMBL30398489 0.85 ULK1 (0.36) ULK1PTK2CDK2KDRCDK1
SCHEMBL30397445 0.85 ULK1 (0.38) ULK1PTK2CDK2KDRCDK1
SCHEMBL30396113 0.83 ULK1 (0.37) ULK1PTK2CDK2KDRCDK1
SCHEMBL30397412 0.83 ULK1 (0.37) ULK1PTK2CDK2KDRCDK1
SCHEMBL30397129 0.83 ULK1 (0.37) ULK1PTK2CDK2KDRCDK1
SCHEMBL30397489 0.83 ULK1 (0.37) ULK1PTK2CDK2KDRCDK1

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