SCHEMBL30397494

SCHEMBL30397494

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2nnc3cc(C#N)c(C(F)(F)F)cn23)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
RET P07949 3/20 0.37
JAK3 P52333 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 4/20 0.36
SUV39H2 Q9H5I1 3/20 0.36
CTSK P43235 2/20 0.35
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
DRD2 P14416 1/20 0.34
KDM4D Q6B0I6 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
SCHEMBL25525059 0.88 BTK (0.41) BTKRETJAK3KMT2AL3MBTL1
SCHEMBL25525043 0.87 SUV39H2 (0.44) BTKRETJAK3KMT2AL3MBTL1
SCHEMBL30397473 0.86 BTK (0.40) BTKKMT2AL3MBTL1SUV39H2KDM4D
SCHEMBL25517516 0.81 DRD2 (0.43) BTKJAK3KMT2AL3MBTL1SUV39H2
SCHEMBL25522632 0.80 MAPK13 (0.42) BTKKMT2AL3MBTL1
SCHEMBL25525729 0.79 BTK (0.43) BTKKMT2AL3MBTL1SUV39H2KDM4D
SCHEMBL25540956 0.79 BTK (0.42) BTKKMT2AL3MBTL1
SCHEMBL25525052 0.77 BTK (0.43) BTKJAK3KMT2AL3MBTL1SUV39H2
SCHEMBL25533067 0.77 BTK (0.44) BTKJAK3KMT2AL3MBTL1JAK2
SCHEMBL25523570 0.77 BTK (0.44) BTKJAK3KMT2AL3MBTL1JAK2

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