SCHEMBL25533370

SCHEMBL25533370

Cc1cc(C#N)cc2nnc([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.41
DRD2 P14416 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK3 P52333 2/20 0.39
CTSK P43235 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.35
KDM4D Q6B0I6 4/20 0.35
EPAS1 Q99814 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
KCNA3 P22001 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CDK9 P50750 1/20 0.34
RET P07949 1/20 0.34
EGLN2 Q96KS0 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
SCHEMBL25526013 0.90 BTK (0.42) BTKDRD2KMT2AL3MBTL1JAK3
SCHEMBL25517516 0.84 DRD2 (0.43) BTKDRD2KMT2AL3MBTL1JAK3
SCHEMBL25538909 0.84 IRAK4 (0.41) BTKDRD2KMT2AL3MBTL1JAK3
SCHEMBL25538557 0.78 BTK (0.42) BTKKMT2AL3MBTL1JAK3KDM4D
SCHEMBL30397549 0.77 BTK (0.42) BTKDRD2KMT2AL3MBTL1JAK3
SCHEMBL30397860 0.77 BTK (0.42) BTKDRD2KMT2AL3MBTL1JAK3
SCHEMBL25525059 0.77 BTK (0.41) BTKDRD2KMT2AL3MBTL1JAK3
SCHEMBL30397932 0.76 BTK (0.43) BTKDRD2KMT2AL3MBTL1JAK3
SCHEMBL30397246 0.76 BTK (0.41) BTKKMT2AL3MBTL1JAK3KDM4D
SCHEMBL25525623 0.76 BTK (0.43) BTKKMT2AL3MBTL1JAK3KDM4D

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