SCHEMBL25540956

SCHEMBL25540956

Cc1cc2nnc([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2cc1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK13 O15264 3/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MAP4K4 O95819 2/20 0.35
CDK9 P50750 1/20 0.34
KIT P10721 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KAT8 Q9H7Z6 4/20 0.33
AURKA O14965 3/20 0.33
PDPK1 O15530 3/20 0.33
AURKB Q96GD4 3/20 0.33
MET P08581 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
SCHEMBL25540960 0.86 BTK (0.40) BTKKMT2AL3MBTL1MAPK13HDAC3
SCHEMBL25525729 0.84 BTK (0.43) BTKKMT2AL3MBTL1MAPK13CA1
SCHEMBL25523570 0.83 BTK (0.44) BTKKMT2AL3MBTL1MAPK13MAP4K4
SCHEMBL25525053 0.83 BTK (0.40) BTKKMT2AL3MBTL1CDK9KAT8
SCHEMBL25529347 0.82 MAPK13 (0.43) BTKKMT2AL3MBTL1MAPK13MAP4K4
SCHEMBL25523832 0.82 MAPK13 (0.43) BTKKMT2AL3MBTL1MAPK13MAP4K4
SCHEMBL25525026 0.82 BTK (0.40) BTKKMT2AL3MBTL1MAPK13
SCHEMBL25525052 0.81 BTK (0.43) BTKKMT2AL3MBTL1MAPK13CDK9
SCHEMBL25533067 0.81 BTK (0.44) BTKKMT2AL3MBTL1MAPK13MAP4K4
SCHEMBL30397566 0.81 BTK (0.40) BTKKMT2AL3MBTL1

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