SCHEMBL31163074

SCHEMBL31163074

Cc1cnc(Nc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)cc2)nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.67
HDAC1 Q13547 5/20 0.67
BRD4 O60885 13/20 0.64
JAK2 O60674 6/20 0.63
JAK3 P52333 3/20 0.63
FLT3 P36888 3/20 0.63
RET P07949 2/20 0.63
WEE1 P30291 2/20 0.63
BRDT Q58F21 2/20 0.63
ALK Q9UM73 2/20 0.63
BUB1B O60566 1/20 0.63
BRD2 P25440 1/20 0.63
BRD3 Q15059 1/20 0.63
TYK2 P29597 2/20 0.57
BMPR1B O00238 1/20 0.57
PLK4 O00444 1/20 0.57
STK25 O00506 1/20 0.57
CIT O14578 1/20 0.57
RIOK3 O14730 1/20 0.57
CHEK1 O14757 1/20 0.57

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
SCHEMBL30565229 1.00 JAK1 (0.67) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL25385237 1.00 JAK1 (0.67) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL25381831 0.91 BRD4 (0.69) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL30565221 0.91 BRD4 (0.69) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL25383250 0.91 BRD4 (0.69) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL30565217 0.91 BRD4 (0.69) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL31163076 0.91 BRD4 (0.73) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL25383521 0.89 JAK1 (0.81) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL30565200 0.89 JAK1 (0.81) JAK1HDAC1BRD4JAK2JAK3
SCHEMBL31163144 0.89 JAK1 (0.54) JAK1HDAC1BRD4JAK2JAK3

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
EP-4673149-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA Trustlife Global Inc. (US) 2026-01-07 EP disclosed
WO-2024179699-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA BASH BIOTECH INC. (US) 2024-09-06 WO disclosed