SCHEMBL30397759

SCHEMBL30397759

COc1ncn([C@@H]2CCC[C@@H](Nc3ncc(C(F)(F)F)c(OC4COC4)n3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.41
PTK2 Q05397 2/20 0.37
CDK2 P24941 11/20 0.37
KDR P35968 1/20 0.37
CCNE1 P24864 10/20 0.36
CDK1 P06493 3/20 0.35
CCNB1 P14635 2/20 0.35
LRRK2 Q5S007 2/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
MAPK3 P27361 1/20 0.34
CCNT1 O60563 6/20 0.34
CDK9 P50750 6/20 0.34
CCNK O75909 5/20 0.34
CDK12 Q9NYV4 5/20 0.34
EGFR P00533 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 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
SCHEMBL30397251 1.00 ULK1 (0.41) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30397840 1.00 ULK1 (0.41) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30398072 1.00 ULK1 (0.41) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30398079 0.91 ULK1 (0.39) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30397404 0.91 ULK1 (0.39) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30397887 0.91 ULK1 (0.39) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30396062 0.91 ULK1 (0.39) ULK1PTK2CDK2KDRCCNE1
SCHEMBL25418204 0.90 ULK1 (0.39) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30397769 0.90 ULK1 (0.39) ULK1PTK2CDK2KDRCCNE1
SCHEMBL30397421 0.90 ULK1 (0.39) ULK1PTK2CDK2KDRCCNE1

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