SCHEMBL25534848

SCHEMBL25534848

CC(C)c1nnc([C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.48
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CTSK P43235 2/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
DRD2 P14416 1/20 0.35
KDM4D Q6B0I6 2/20 0.35
GAA P10253 2/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CDK9 P50750 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL25534135 0.85 BTK (0.51) BTKKMT2AL3MBTL1CA1CA2
SCHEMBL25534167 0.84 BTK (0.50) BTKKMT2AL3MBTL1CA1CA2
SCHEMBL25534630 0.82 BTK (0.47) BTKKMT2AL3MBTL1CA1CA2
SCHEMBL25534104 0.78 BTK (0.50) BTKPOLBKMT2AL3MBTL1CA1
SCHEMBL25516521 0.75 BTK (0.47) BTKPOLBKMT2AL3MBTL1CA1
SCHEMBL25517482 0.75 BTK (0.47) BTKKMT2AL3MBTL1CA1CA2
SCHEMBL25533067 0.74 BTK (0.44) BTKKMT2AL3MBTL1CA1CA2
SCHEMBL25517566 0.74 KMT2A (0.49) BTKPOLBKMT2AL3MBTL1JAK2
SCHEMBL30397552 0.74 BTK (0.43) BTKKMT2AL3MBTL1CA1CA2
SCHEMBL25516501 0.73 BTK (0.47) BTKKMT2AL3MBTL1CA1CA2

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