SCHEMBL25523600

SCHEMBL25523600

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
BTK Q06187 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 4/20 0.37
MAPK13 O15264 2/20 0.37
ABL1 P00519 1/20 0.36
HTT P42858 1/20 0.36
RIN1 Q13671 1/20 0.36
MEN1 O00255 1/20 0.35
NAMPT P43490 1/20 0.35
FAAH O00519 2/20 0.35
ALOX15 P16050 1/20 0.35
MET P08581 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 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
SCHEMBL30397398 0.87 MAPK13 (0.43) KMT2AL3MBTL1BTKALDH1A1GAA
SCHEMBL25523570 0.83 BTK (0.44) KMT2AL3MBTL1BTKALDH1A1GAA
SCHEMBL30397273 0.82 BTK (0.42) KMT2AL3MBTL1BTKMAPK13MET
SCHEMBL25523622 0.80 ALDH1A1 (0.40) KMT2AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL25517566 0.80 KMT2A (0.49) KMT2AL3MBTL1BTKALDH1A1MAPT
SCHEMBL25529454 0.79 BTK (0.40) KMT2AL3MBTL1BTKMAPK13MET
SCHEMBL25524768 0.78 MAPK13 (0.44) KMT2AL3MBTL1BTKMAPK13JAK2
SCHEMBL25540956 0.78 BTK (0.42) KMT2AL3MBTL1BTKMAPK13MET
SCHEMBL25529477 0.78 MET (0.39) KMT2AL3MBTL1BTKMAPK13MET
SCHEMBL25524384 0.78 KMT2A (0.42) KMT2AL3MBTL1BTKMAPTMAPK13

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