SCHEMBL31313917

SCHEMBL31313917

C1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1.[Pd+2]

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.76
▸ TERT O14746 4/20 0.57
▸ CYCS P99999 3/20 0.54
▸ ENPP2 Q13822 1/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL29961137 0.98 TOP1 (0.78) TOP1TERTCYCSENPP2ABCG2
SCHEMBL245937 0.98 TOP1 (0.78) TOP1TERTCYCSENPP2ABCG2
SCHEMBL31313985 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL31627581 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
Magnesium SCHEMBL31258521 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL600975 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL30915394 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL2423633 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL2101556 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL31315103 0.96 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2

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
CN-119433582-A Preparation method and application of nitrogen-doped porous carbon supported metal catalyst 六盘水师范学院 2025-02-14 — — CN disclosed
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