SCHEMBL25538909

SCHEMBL25538909

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2nnc3cc(C#N)cnn23)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.41
TNF P01375 7/20 0.41
BTK Q06187 2/20 0.41
JAK3 P52333 1/20 0.40
DRD2 P14416 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 2/20 0.37
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL25538793 0.86 BTK (0.43) IRAK4BTKJAK3KMT2AL3MBTL1
SCHEMBL25533370 0.84 BTK (0.41) IRAK4BTKJAK3DRD2KMT2A
SCHEMBL25517516 0.84 DRD2 (0.43) IRAK4BTKJAK3DRD2KMT2A
SCHEMBL25526013 0.83 BTK (0.42) IRAK4BTKJAK3DRD2KMT2A
SCHEMBL30397355 0.80 KMT2A (0.46) BTKJAK3DRD2KMT2AL3MBTL1
SCHEMBL25525059 0.77 BTK (0.41) BTKJAK3DRD2KMT2AL3MBTL1
SCHEMBL30397932 0.76 BTK (0.43) BTKJAK3DRD2KMT2AL3MBTL1
SCHEMBL25540719 0.76 KMT2A (0.46) BTKJAK3DRD2KMT2AL3MBTL1
SCHEMBL25525043 0.76 SUV39H2 (0.44) BTKJAK3DRD2KMT2AL3MBTL1
SCHEMBL30397494 0.76 BTK (0.39) BTKJAK3DRD2KMT2AL3MBTL1

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 2 patents. 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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed