SCHEMBL31189181

SCHEMBL31189181

CC(C)(C)OC(=O)N1CC=C(c2cc3ncc(Cl)cc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.47
CNR1 P21554 2/20 0.46
GRM1 Q13255 9/20 0.45
GRM5 P41594 8/20 0.43
CYP11B2 P19099 1/20 0.43
PDK4 Q16654 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42

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
SCHEMBL31189189 0.88 KIT (0.47) KITGRM1GRM5CYP11B2PDK4
SCHEMBL15504614 0.80 KIT (0.59) KITCNR1GRM1GRM5CYP11B2
SCHEMBL29138576 0.79 GRM1 (0.53) CNR1GRM1GRM5CYP11B2PDK4
SCHEMBL30366133 0.79 GRM1 (0.49) CNR1GRM1GRM5CYP11B2PDK4
SCHEMBL30899649 0.79 GRM1 (0.49) CNR1GRM1GRM5CYP11B2PDK4
SCHEMBL25457026 0.79 CNR1 (0.49) KITCNR1GRM1GRM5PDK4
SCHEMBL31583898 0.78 GRM1 (0.55) CNR1GRM1GRM5CYP11B2PDK4
SCHEMBL74150 0.78 TNK2 (0.49) CNR1GRM1GRM5CYP11B2PDK4
SCHEMBL7970682 0.78 CNR1 (0.49) CNR1GRM1GRM5PDK4PDE10A
SCHEMBL31189168 0.77 KIT (0.43) KITGRM1GRM5CYP11B2PDE10A

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-4698541-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-02-25 EP disclosed
WO-2024218207-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-10-24 WO disclosed