SCHEMBL31409744

SCHEMBL31409744

C#Cc1c2nc(c(C#C)c3ccc([nH]3)c(C#C)c3nc(c(C#C)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.37
▸ TOP1 P11387 2/20 0.36
▸ CYCS P99999 2/20 0.35
▸ ENPP2 Q13822 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
Magnesium SCHEMBL31438909 0.98 TERT (0.36) TERTTOP1CYCSENPP2
Magnesium SCHEMBL31438910 0.98 TERT (0.36) TERTTOP1CYCSENPP2
Lithium SCHEMBL31438905 0.96 TERT (0.35) TERTTOP1CYCSENPP2
SCHEMBL4414917 0.83 STAT3 (0.50) —
SCHEMBL16337599 0.82 STAT3 (0.52) TERTTOP1CYCSENPP2
SCHEMBL251724 0.81 STAT3 (0.48) —
SCHEMBL3811058 0.76 STAT3 (0.50) —
SCHEMBL7166851 0.72 TERT (0.37) TERTTOP1CYCSENPP2
SCHEMBL1674104 0.70 TOP1 (0.55) TERTTOP1CYCSENPP2
SCHEMBL31186244 0.69 TOP1 (0.54) TERTTOP1CYCSENPP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735535-A2 COMPOUNDS INCLUDING A WATER-SOLUBILIZATION MOTIF AND METHODS OF USE THEREOF North Carolina State University (US) 2026-05-06 — — EP disclosed
WO-2025067003-A1 NEGATIVE ELECTRODE AND PREPARATION METHOD THEREFOR, SECONDARY BATTERY, AND POWER COMSUMING APPARATUS 比亚迪股份有限公司 2025-04-03 — — WO disclosed
WO-2025006450-A2 COMPOUNDS INCLUDING A WATER-SOLUBILIZATION MOTIF AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2025-01-02 — — WO disclosed
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