SCHEMBL25529477

SCHEMBL25529477

Cc1oncc1-c1ccc2nnc([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BTK Q06187 1/20 0.37
BRD4 O60885 3/20 0.37
KIT P10721 1/20 0.37
MAPK14 Q16539 5/20 0.35
MAPK13 O15264 2/20 0.35
LMNA P02545 1/20 0.34
RET P07949 1/20 0.33
CDK9 P50750 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 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
SCHEMBL25529454 0.86 BTK (0.40) METKMT2AL3MBTL1BTKBRD4
SCHEMBL25524581 0.82 MET (0.43) METKMT2AL3MBTL1BTKKIT
SCHEMBL30397273 0.81 BTK (0.42) METKMT2AL3MBTL1BTKMAPK13
SCHEMBL25523570 0.81 BTK (0.44) METKMT2AL3MBTL1BTKMAPK13
SCHEMBL25540760 0.80 MET (0.39) METKMT2AL3MBTL1BTKKIT
SCHEMBL25528178 0.79 MET (0.39) METKMT2AL3MBTL1BTKKIT
SCHEMBL25523600 0.78 KMT2A (0.41) METKMT2AL3MBTL1BTKMAPK13
SCHEMBL25529486 0.78 MAPK14 (0.42) BRD4MAPK14MAPK13
SCHEMBL25517566 0.77 KMT2A (0.49) KMT2AL3MBTL1BTKKITMAPK13
SCHEMBL30397426 0.77 USP30 (0.41) METKMT2AL3MBTL1BTKCDK9

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