SCHEMBL30397307

SCHEMBL30397307

FC(F)(F)c1cnc(N[C@@H]2CCC[C@H](c3cnccn3)C2)nc1OC1COC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 6/20 0.43
CDK2 P24941 7/20 0.39
KDR P35968 1/20 0.39
CDK1 P06493 1/20 0.38
CCNK O75909 7/20 0.38
CDK12 Q9NYV4 7/20 0.38
CCNT1 O60563 6/20 0.38
CCNE1 P24864 6/20 0.38
CDK9 P50750 6/20 0.38
HSD11B1 P28845 1/20 0.34
MAPK3 P27361 2/20 0.33
PTK2 Q05397 1/20 0.33
MAPK8 P45983 1/20 0.33
ULK2 Q8IYT8 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 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
SCHEMBL25531968 1.00 ULK1 (0.43) ULK1CDK2KDRCDK1CCNK
SCHEMBL25531971 1.00 ULK1 (0.43) ULK1CDK2KDRCDK1CCNK
SCHEMBL25531921 1.00 ULK1 (0.43) ULK1CDK2KDRCDK1CCNK
SCHEMBL25531969 1.00 ULK1 (0.43) ULK1CDK2KDRCDK1CCNK
SCHEMBL25531976 1.00 ULK1 (0.43) ULK1CDK2KDRCDK1CCNK
SCHEMBL30397492 0.81 ULK1 (0.49) ULK1CDK2KDRCDK1CCNK
SCHEMBL25531402 0.81 ULK1 (0.49) ULK1CDK2KDRCDK1CCNK
SCHEMBL25531794 0.81 ULK1 (0.41) ULK1CDK2KDRCDK1CCNK
SCHEMBL25522696 0.81 ULK1 (0.55) ULK1CDK2KDRCDK1CCNK
SCHEMBL25516754 0.80 ULK1 (0.39) ULK1CDK2KDRCDK1CCNK

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