SCHEMBL31389752

SCHEMBL31389752

CCOC(=O)c1nc2c(s1)CC(F)(F)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
PDK1 Q15118 1/20 0.38
ACHE P22303 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL31389830 0.85 PDK1 (0.38) PDK1GABRPGABRDGABRA1GABRB1
SCHEMBL1397402 0.85 PDK1 (0.48) PDK1ACHEGABRPGABRDGABRA1
SCHEMBL12922693 0.77 PARP1 (0.53) PDK1PARP1ALDH1A1KDM4EHPGD
SCHEMBL8005977 0.77 PARP1 (0.50) PDK1PARP1ALDH1A1KDM4EHPGD
SCHEMBL31389784 0.77 ALDH1A1 (0.39) PDK1ACHEGABRPGABRDGABRA1
SCHEMBL977531 0.73 ADORA1 (0.52) PDK1PARP1ALDH1A1KDM4EHPGD
SCHEMBL31389935 0.73 PDK1 (0.47) PDK1ALDH1A1KDM4EHPGDGAA
Hydrochloric Acid SCHEMBL978519 0.72 ADORA1 (0.53) PDK1PARP1ALDH1A1KDM4EHPGD
SCHEMBL12922681 0.72 F10 (0.49) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL31684721 0.71 ALDH1A1 (0.41) ACHEALDH1A1KDM4EHPGDGAA

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed