SCHEMBL31705879

SCHEMBL31705879

COC(=O)c1cncc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.56
▸ NAMPT P43490 1/20 0.49
▸ GRM1 Q13255 10/20 0.47
▸ GRM5 P41594 10/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ PDK4 Q16654 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ CDK13 Q14004 1/20 0.45
▸ CDK12 Q9NYV4 1/20 0.45
▸ WNT3A P56704 1/20 0.42
▸ ATM Q13315 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
SCHEMBL31704818 0.85 QDPR (0.51) CYP11B2NAMPTATM
SCHEMBL13473291 0.85 CYP11B2 (0.61) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL29580862 0.84 CYP11B2 (0.58) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL20753874 0.84 CYP11B2 (0.58) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL2951348 0.84 NAMPT (0.60) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL31706901 0.83 NAMPT (0.50) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL31706237 0.83 NAMPT (0.50) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL22324970 0.83 NAMPT (0.55) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL31706789 0.83 NAMPT (0.55) CYP11B2NAMPTGRM1GRM5JAK1
SCHEMBL16271570 0.83 CYP11B2 (0.61) CYP11B2NAMPTGRM1GRM5JAK1

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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