SCHEMBL29079923

SCHEMBL29079923

COc1cccc(-c2ccc(Cl)n2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NQO2 P16083 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ AMY1A P0DUB6 2/20 0.35
▸ P2RX7 Q99572 2/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL29079836 0.85 KMT2A (0.43) KMT2AAMY1AHSD11B1ALDH1A1CA12
SCHEMBL29079869 0.80 NQO2 (0.40) KMT2AMAPTMEN1POLBALOX15
SCHEMBL29079788 0.77 NQO2 (0.39) KMT2AMAPTMEN1POLBALOX15
SCHEMBL7921177 0.74 CA1 (0.52) KMT2AMAPTMEN1ALOX15L3MBTL1
SCHEMBL29079800 0.73 RPS6KA2 (0.37) POLBL3MBTL1NQO2LMNAHPGD
SCHEMBL29079889 0.73 AMY1A (0.39) AMY1A
SCHEMBL29079843 0.71 ALDH1A1 (0.41) KMT2AMAPTMEN1POLBRECQL
SCHEMBL31276627 0.71 ADRB2 (0.41) POLBL3MBTL1HPGDKCNN4
SCHEMBL24343762 0.70 AMY1A (0.36) DYRK1AKMT2AMEN1POLBNQO2
SCHEMBL29079816 0.68 MEN1 (0.39) KMT2AMEN1L3MBTL1

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
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 — — CN disclosed
CN-116648453-A 5-and 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 活力疗法公司 2023-08-25 — — CN disclosed
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