SCHEMBL31374403

SCHEMBL31374403

CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.58
AKT2 P31751 5/20 0.52
ROCK2 O75116 3/20 0.51
AKT1 P31749 3/20 0.51
AKT3 Q9Y243 1/20 0.51
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
LIMK1 P53667 1/20 0.49
LIMK2 P53671 1/20 0.49
CYP2C9 P11712 1/20 0.49
ENPP1 P22413 1/20 0.49
KIT P10721 1/20 0.49
LCK P06239 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL390884 1.00 JAK3 (0.58) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL2780762 0.88 JAK3 (0.54) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL29036015 0.84 AKT1 (0.58) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL29036005 0.84 AKT1 (0.58) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL28781689 0.84 JAK3 (0.59) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL3491986 0.84 PDGFRB (0.47) AKT2ROCK2AKT1PRKACAPRKACG
SCHEMBL10156821 0.84 JAK3 (0.59) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL29157947 0.84 AKT1 (0.57) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL30012817 0.84 AKT1 (0.57) JAK3AKT2ROCK2AKT1AKT3
SCHEMBL29157946 0.84 AKT1 (0.57) JAK3AKT2ROCK2AKT1AKT3

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
CN-119684280-A Targeting protein arginine methylation proximity-induced small molecule chimeric platform MeTAG and application thereof 西安交通大学医学院第一附属医院 2025-03-25 CN disclosed