SCHEMBL25534104

SCHEMBL25534104

Cn1cnnc1[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
JAK1 P23458 3/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
EPHX2 P34913 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
NFKB1 P19838 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
SCHEMBL25516501 0.86 BTK (0.47) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL25517157 0.81 KMT2A (0.61) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL25534135 0.81 BTK (0.51) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL25534167 0.80 BTK (0.50) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL25534848 0.78 BTK (0.48) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL30397552 0.77 BTK (0.43) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL25534630 0.77 BTK (0.47) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL30397355 0.77 KMT2A (0.46) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL25540719 0.77 KMT2A (0.46) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL30397798 0.76 BTK (0.40) BTKKMT2AL3MBTL1JAK1JAK2

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