SCHEMBL30397355

SCHEMBL30397355

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2nnc3cccnn23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BTK Q06187 1/20 0.45
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX2 P34913 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
DRD2 P14416 2/20 0.37
PDE10A Q9Y233 1/20 0.37
JAK1 P23458 5/20 0.37
JAK2 O60674 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CDK9 P50750 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL25540719 0.84 KMT2A (0.46) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL25517566 0.83 KMT2A (0.49) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL30397552 0.82 BTK (0.43) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL25538793 0.82 BTK (0.43) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL30397856 0.81 KMT2A (0.45) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL25538909 0.80 IRAK4 (0.41) KMT2AL3MBTL1BTKDRD2JAK3
SCHEMBL25530705 0.78 CYP3A4 (0.30)
SCHEMBL25523570 0.77 BTK (0.44) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL25533067 0.77 BTK (0.44) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL25534104 0.77 BTK (0.50) KMT2AL3MBTL1BTKKDM1AMAOB

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