SCHEMBL30397492

SCHEMBL30397492

OC1CCCC(Nc2ncc(C(F)(F)F)c(OC3COC3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.49
MAPK8 P45983 13/20 0.47
MAPK9 P45984 6/20 0.43
CDK2 P24941 2/20 0.41
KDR P35968 1/20 0.41
CDK1 P06493 1/20 0.40
HSD11B1 P28845 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK9 P50750 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
MAPK3 P27361 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL25531402 1.00 ULK1 (0.49) ULK1MAPK8MAPK9CDK2KDR
SCHEMBL25522696 0.87 ULK1 (0.55) ULK1CDK2KDRCDK1CCNT1
SCHEMBL25516689 0.85 ULK1 (0.46) ULK1MAPK8CDK2KDRCDK1
SCHEMBL30397617 0.85 ULK1 (0.46) ULK1MAPK8CDK2KDRCDK1
SCHEMBL30397992 0.84 MAPK3 (0.46) ULK1MAPK8CDK2KDRHSD11B1
SCHEMBL30397130 0.84 MAPK3 (0.46) ULK1MAPK8CDK2KDRHSD11B1
SCHEMBL30397019 0.83 ULK1 (0.43) ULK1MAPK8CDK2KDRCDK1
SCHEMBL30397934 0.82 ULK1 (0.44) ULK1CDK2KDRCDK1CCNT1
SCHEMBL25200460 0.82 ULK1 (0.42) ULK1MAPK8CDK2KDRCDK1
SCHEMBL30397381 0.82 LRRK2 (0.46) ULK1CDK2KDRHSD11B1MAPK3

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