SCHEMBL31704939

SCHEMBL31704939

COC(=O)c1csc(C2=CCN(C(=O)C3COC3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NAMPT P43490 11/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CRBN Q96SW2 1/20 0.34

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
SCHEMBL31705462 1.00 MAOA (0.38) MAOAACHENAMPTJAK1JAK2
SCHEMBL31705868 0.87 ALDH1A1 (0.38) NAMPTJAK1JAK2TYK2
Lithium Ion SCHEMBL31705930 0.85 NAMPT (0.36) NAMPTJAK1JAK2TYK2GPR119
SCHEMBL31705068 0.81 NAMPT (0.40) NAMPTJAK1JAK2TYK2CCNT1
SCHEMBL31706013 0.81 NAMPT (0.40) NAMPTJAK1JAK2TYK2CCNT1
SCHEMBL31706494 0.81 NAMPT (0.41) NAMPTCCNT1CDK9HRH3
SCHEMBL31706303 0.81 NAMPT (0.41) NAMPTCCNT1CDK9HRH3
SCHEMBL31705195 0.80 NAMPT (0.41) NAMPTJAK1JAK2TYK2CCNT1
SCHEMBL31704732 0.79 CCNT1 (0.44) NAMPTCCNT1CDK9
SCHEMBL31705807 0.79 GPR119 (0.56) NAMPTJAK1GPR119

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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