SCHEMBL28650280

SCHEMBL28650280

Cc1cnc(Nc2ccc(N3CCN(CC(=O)O)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.78
JAK2 O60674 5/20 0.78
FLT3 P36888 3/20 0.78
JAK1 P23458 3/20 0.78
RET P07949 2/20 0.78
WEE1 P30291 2/20 0.78
JAK3 P52333 2/20 0.78
BRDT Q58F21 2/20 0.78
ALK Q9UM73 2/20 0.78
BUB1B O60566 1/20 0.78
BRD2 P25440 1/20 0.78
BRD3 Q15059 1/20 0.78
BMPR1B O00238 1/20 0.64
PLK4 O00444 1/20 0.64
STK25 O00506 1/20 0.64
CIT O14578 1/20 0.64
RIOK3 O14730 1/20 0.64
CHEK1 O14757 1/20 0.64
IKBKB O14920 1/20 0.64
CASK O14936 1/20 0.64

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
SCHEMBL29440000 1.00 BRD4 (0.78) BRD4JAK2FLT3JAK1RET
SCHEMBL21303811 0.94 BRD4 (0.78) BRD4JAK2FLT3JAK1RET
SCHEMBL22511881 0.92 BRD4 (0.76) BRD4JAK2FLT3JAK1RET
SCHEMBL22851664 0.92 BRD4 (0.76) BRD4JAK2FLT3JAK1RET
SCHEMBL270528 0.90 BRD4 (0.82) BRD4JAK2FLT3JAK1RET
SCHEMBL270925 0.89 BRD4 (0.83) BRD4JAK2FLT3JAK1RET
SCHEMBL17873798 0.89 BRD4 (0.75) BRD4JAK2FLT3JAK1RET
SCHEMBL23868464 0.88 BRD4 (0.79) BRD4JAK2FLT3JAK1RET
SCHEMBL266295 0.88 BRD4 (0.82) BRD4JAK2FLT3JAK1RET
SCHEMBL265061 0.88 BRD4 (1.00) BRD4JAK2FLT3JAK1RET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323570-A Compounds and methods for treating diseases 上海睿跃生物科技有限公司 2023-06-23 CN disclosed
CN-113710661-B Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2022-11-22 CN disclosed
CN-113710661-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2021-11-26 CN disclosed