SCHEMBL20444499

SCHEMBL20444499

Brc1ccnc2nccc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29843509 0.81 PDE6D (0.38) MEN1KMT2AUSP2LMNANPSR1
SCHEMBL20424589 0.81 PDE6D (0.38) MEN1KMT2AUSP2LMNANPSR1
SCHEMBL20444567 0.73 GAA (0.33) SMN1; SMN2
SCHEMBL24891142 0.72 — —
SCHEMBL20444501 0.72 DRD4 (0.32) KMT2ALMNANPSR1KDM4EPOLB
SCHEMBL20444484 0.70 ALDH1A1 (0.35) MEN1KMT2ALMNAABCG2KDM4E
SCHEMBL31669 0.70 L3MBTL1 (0.45) MEN1KMT2AUSP2LMNANPSR1
SCHEMBL18624528 0.68 ALDH1A1 (0.33) MEN1KMT2AUSP2LMNANPSR1
SCHEMBL22211104 0.66 MEN1 (0.40) MEN1KMT2AUSP2LMNANPSR1
SCHEMBL22222776 0.66 L3MBTL1 (0.38) MEN1KMT2AUSP2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573985-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-01-18 — — EP disclosed
WO-2018138306-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-02 — — WO disclosed
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