SCHEMBL25756718

SCHEMBL25756718

CCCn1nc(NCC)c2c(=O)n(CC(F)(F)F)ccc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AURKA O14965 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL25757056 0.91 AURKA (0.32) CNR1AURKASYKAURKBMEN1
SCHEMBL25756719 0.83 PDE5A (0.36) LMNAHTTTSHRCNR1KDM4E
SCHEMBL27199496 0.82 CNR1 (0.35) LMNAHTTTSHRCNR1KDM4E
SCHEMBL27199522 0.76 TRPA1 (0.33) LMNAMAPTAURKASYKAURKB
SCHEMBL25752395 0.73 CNR1 (0.33) LMNAHTTTSHRCNR1KDM4E
SCHEMBL25757055 0.72 OPRM1 (0.34) AURKASYKAURKB
Hydrochloric Acid SCHEMBL27199341 0.72 CNR1 (0.32) LMNAHTTTSHRCNR1KDM4E
SCHEMBL25757053 0.72 CNR1 (0.34) LMNAHTTTSHRCNR1KDM4E
SCHEMBL25750536 0.71 SCN9A (0.41) CNR1
SCHEMBL25750514 0.70 SCN9A (0.34) LMNAHTTTSHRCNR1KDM4E

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed