SCHEMBL30290816

SCHEMBL30290816

Cc1c(Nc2cccc(C(=O)Nc3cccc(Nc4ccccc4)c3)c2)ccnc1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 4/20 0.56
▸ DNMT3A Q9Y6K1 4/20 0.56
▸ DNMT3L Q9UJW3 3/20 0.56
▸ EHMT1 Q9H9B1 2/20 0.56
▸ KCNK3 O14649 9/20 0.50
▸ KCNK9 Q9NPC2 8/20 0.50
▸ SIRT2 Q8IXJ6 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ BRAF P15056 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL24010493 1.00 DNMT1 (0.56) DNMT1DNMT3ADNMT3LEHMT1KCNK3
SCHEMBL24003828 0.87 DNMT1 (0.54) DNMT1DNMT3ADNMT3LEHMT1KCNK3
SCHEMBL30287679 0.87 DNMT1 (0.54) DNMT1DNMT3ADNMT3LEHMT1KCNK3
SCHEMBL30232520 0.87 DNMT1 (0.54) DNMT1DNMT3ADNMT3LEHMT1KCNK3
SCHEMBL24006113 0.87 DNMT1 (0.54) DNMT1DNMT3ADNMT3LEHMT1KCNK3
SCHEMBL26321794 0.86 ABL1 (0.54) DNMT1DNMT3ADNMT3LEHMT1KCNK3
SCHEMBL24006427 0.86 BRAF (0.49) DNMT1DNMT3ADNMT3LEHMT1MEN1
SCHEMBL30290800 0.86 BRAF (0.49) DNMT1DNMT3ADNMT3LEHMT1MEN1
SCHEMBL25821618 0.84 SIRT2 (0.57) KCNK3KCNK9SIRT2MEN1KMT2A
SCHEMBL24010533 0.81 JAK2 (0.55) DNMT1DNMT3AKCNK3KCNK9SIRT2

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-115996721-A AKT3 modulators 乔治穆内有限责任公司 2023-04-21 — — CN disclosed
EP-4146212-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 — — EP disclosed
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