SCHEMBL25976403

SCHEMBL25976403

C=CC(=O)N1CC(C)N(C)CC1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
JAK3 P52333 13/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
JAK1 P23458 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BLK P51451 1/20 0.34
BMX P51813 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 1/20 0.34
ERBB4 Q15303 1/20 0.34
HTT P42858 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
SCHEMBL23323365 1.00 TSHR (0.39) TSHRMAPTJAK3GAASMN1; SMN2
SCHEMBL2033628 0.88
SCHEMBL21544159 0.82 TSHR (0.41) TSHRMAPTJAK3GAASMN1; SMN2
SCHEMBL21544320 0.82 TSHR (0.41) TSHRMAPTJAK3GAASMN1; SMN2
Dimethylamine SCHEMBL20515125 0.82 TSHR (0.43) TSHRMAPTJAK3GAASMN1; SMN2
SCHEMBL23323371 0.81 JAK3 (0.34) JAK3SMN1; SMN2JAK1TECTXK
SCHEMBL22969921 0.79 TSHR (0.38) TSHRMAPTJAK3GAASMN1; SMN2
SCHEMBL24660233 0.79 TSHR (0.38) TSHRMAPTJAK3GAASMN1; SMN2
SCHEMBL22969767 0.79 TSHR (0.38) TSHRMAPTJAK3GAASMN1; SMN2
SCHEMBL26696602 0.79 TSHR (0.38) TSHRMAPTJAK3GAASMN1; SMN2

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-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed