SCHEMBL25540960

SCHEMBL25540960

CC(=O)Nc1cn2c([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK13 O15264 3/20 0.37
CDK9 P50750 1/20 0.36
KIT P10721 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KAT8 Q9H7Z6 4/20 0.32
MET P08581 1/20 0.32
NTRK1 P04629 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PRKDC P78527 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL25540956 0.86 BTK (0.42) BTKKMT2AL3MBTL1MAPK13CDK9
SCHEMBL25525729 0.81 BTK (0.43) BTKKMT2AL3MBTL1MAPK13CA1
SCHEMBL25525052 0.79 BTK (0.43) BTKKMT2AL3MBTL1MAPK13CDK9
SCHEMBL25533067 0.79 BTK (0.44) BTKKMT2AL3MBTL1MAPK13CDK9
SCHEMBL25523570 0.79 BTK (0.44) BTKKMT2AL3MBTL1MAPK13CA1
SCHEMBL25524998 0.79 BTK (0.40) BTKKMT2AL3MBTL1CDK9KAT8
SCHEMBL25525053 0.79 BTK (0.40) BTKKMT2AL3MBTL1CDK9KAT8
SCHEMBL30397566 0.79 BTK (0.40) BTKKMT2AL3MBTL1
SCHEMBL25525005 0.79 BTK (0.40) BTKKMT2AL3MBTL1MAPK13CA1
SCHEMBL30397473 0.78 BTK (0.40) BTKKMT2AL3MBTL1MAPK13CDK9

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