SCHEMBL25516754

SCHEMBL25516754

CCn1cc([C@H]2CCC[C@@H](Nc3ncc(C(F)(F)F)c(OC4COC4)n3)C2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.39
CDK2 P24941 11/20 0.36
KDR P35968 1/20 0.36
CDK1 P06493 2/20 0.33
PTK2 Q05397 1/20 0.33
HSD11B1 P28845 1/20 0.33
CCNE1 P24864 10/20 0.32
CCNT1 O60563 7/20 0.32
CDK9 P50750 7/20 0.32
CCNK O75909 6/20 0.32
CDK12 Q9NYV4 6/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
MNAT1 P51948 2/20 0.32
MAPK3 P27361 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
SCHEMBL30397501 0.82 ULK1 (0.39) ULK1CDK2KDRCDK1PTK2
SCHEMBL25531971 0.80 ULK1 (0.43) ULK1CDK2KDRCDK1PTK2
SCHEMBL25531921 0.80 ULK1 (0.43) ULK1CDK2KDRCDK1PTK2
SCHEMBL30397307 0.80 ULK1 (0.43) ULK1CDK2KDRCDK1PTK2
SCHEMBL25531969 0.80 ULK1 (0.43) ULK1CDK2KDRCDK1PTK2
SCHEMBL25531968 0.80 ULK1 (0.43) ULK1CDK2KDRCDK1PTK2
SCHEMBL25531976 0.80 ULK1 (0.43) ULK1CDK2KDRCDK1PTK2
SCHEMBL25534462 0.79 ULK1 (0.41) ULK1CDK2KDRCDK1PTK2
SCHEMBL30397257 0.79 ULK1 (0.39) ULK1CDK2KDRCDK1PTK2
SCHEMBL30396969 0.79 ULK1 (0.39) ULK1CDK2KDRCDK1PTK2

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