SCHEMBL30459951

SCHEMBL30459951

Cc1cnc(Nc2ccc(N3CCNCC3)nn2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.61
JAK2 O60674 8/20 0.61
JAK1 P23458 6/20 0.61
FLT3 P36888 4/20 0.61
JAK3 P52333 3/20 0.61
RET P07949 2/20 0.61
WEE1 P30291 2/20 0.61
BRDT Q58F21 2/20 0.61
ALK Q9UM73 2/20 0.61
BUB1B O60566 1/20 0.61
BRD2 P25440 1/20 0.61
BRD3 Q15059 1/20 0.61
NUAK1 O60285 2/20 0.56
TYK2 P29597 2/20 0.56
BMPR1B O00238 1/20 0.56
PLK4 O00444 1/20 0.56
STK25 O00506 1/20 0.56
CIT O14578 1/20 0.56
RIOK3 O14730 1/20 0.56
CHEK1 O14757 1/20 0.56

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
SCHEMBL25276996 1.00 BRD4 (0.61) BRD4JAK2JAK1FLT3JAK3
SCHEMBL265231 0.89 BRD4 (0.68) BRD4JAK2JAK1FLT3JAK3
SCHEMBL265602 0.86 BRD4 (0.73) BRD4JAK2JAK1FLT3JAK3
Hydrochloric Acid SCHEMBL264695 0.85 BRD4 (0.72) BRD4JAK2JAK1FLT3JAK3
SCHEMBL263679 0.85 BRD4 (0.83) BRD4JAK2JAK1FLT3JAK3
SCHEMBL29439990 0.85 BRD4 (0.83) BRD4JAK2JAK1FLT3JAK3
Hydrochloric Acid SCHEMBL264727 0.85 BRD4 (0.81) BRD4JAK2JAK1FLT3JAK3
SCHEMBL25649537 0.84 BRD4 (0.62) BRD4JAK2JAK1FLT3JAK3
SCHEMBL31102699 0.82 BRD4 (0.53) BRD4JAK2JAK1FLT3JAK3
SCHEMBL264400 0.81 BRD4 (0.74) BRD4JAK2JAK1FLT3JAK3

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed