SCHEMBL31705698

SCHEMBL31705698

COC(=O)c1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)cs1.COC(=O)c1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)cs1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 10/20 0.50
▸ GRM5 P41594 9/20 0.50
▸ GPR119 Q8TDV5 2/20 0.47
▸ PDK4 Q16654 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ ENPP2 Q13822 2/20 0.43
▸ WNT3A P56704 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
SCHEMBL31704677 1.00 GRM1 (0.50) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL23408331 0.84 GRM1 (0.53) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL22290520 0.84 GRM1 (0.53) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL29150020 0.84 GRM1 (0.53) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL31705807 0.80 GPR119 (0.56) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL31705435 0.80 GPR119 (0.56) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL31706013 0.79 NAMPT (0.40) NAMPTJAK1
SCHEMBL31705068 0.79 NAMPT (0.40) NAMPTJAK1
SCHEMBL12537886 0.78 GRM1 (0.55) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL31704896 0.78 GRM1 (0.52) GRM1GRM5GPR119PDK4NAMPT

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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