SCHEMBL30397285

SCHEMBL30397285

Oc1ncn([C@H]2CCC[C@H](Nc3ncc(C(F)(F)F)c(OC4COC4)n3)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.42
CDK2 P24941 10/20 0.36
KDR P35968 1/20 0.36
CCNE1 P24864 9/20 0.36
CDK1 P06493 3/20 0.35
PTK2 Q05397 1/20 0.35
HSD11B1 P28845 1/20 0.34
MAPK3 P27361 3/20 0.34
CCNB1 P14635 2/20 0.34
CCNK O75909 7/20 0.34
CDK12 Q9NYV4 7/20 0.34
CCNT1 O60563 5/20 0.34
CDK9 P50750 5/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
MAPK8 P45983 1/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 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
SCHEMBL30397476 1.00 ULK1 (0.42) ULK1CDK2KDRCCNE1CDK1
SCHEMBL25200460 1.00 ULK1 (0.42) ULK1CDK2KDRCCNE1CDK1
SCHEMBL30397859 1.00 ULK1 (0.42) ULK1CDK2KDRCCNE1CDK1
SCHEMBL30396189 1.00 ULK1 (0.42) ULK1CDK2KDRCCNE1CDK1
SCHEMBL30397840 0.88 ULK1 (0.41) ULK1CDK2KDRCCNE1CDK1
SCHEMBL30397251 0.88 ULK1 (0.41) ULK1CDK2KDRCCNE1CDK1
SCHEMBL30398072 0.88 ULK1 (0.41) ULK1CDK2KDRCCNE1CDK1
SCHEMBL30397759 0.88 ULK1 (0.41) ULK1CDK2KDRCCNE1CDK1
SCHEMBL25418204 0.86 ULK1 (0.39) ULK1CDK2KDRCCNE1CDK1
SCHEMBL30397769 0.86 ULK1 (0.39) ULK1CDK2KDRCCNE1CDK1

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