SCHEMBL30232862

SCHEMBL30232862

O=C(Nc1cc(Nc2ccncc2)ccn1)c1ccc(Nc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 2/20 0.62
▸ MAPT P10636 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAPK1 P28482 2/20 0.56
▸ MITF O75030 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ DNMT1 P26358 1/20 0.55
▸ DNMT3A Q9Y6K1 1/20 0.55
▸ NT5E P21589 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ JAK2 O60674 2/20 0.51
▸ TYK2 P29597 2/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPK8 P45983 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ EGFR P00533 1/20 0.49

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
SCHEMBL24003821 1.00 ACVRL1 (0.62) ACVRL1MAPTPOLBKDM4EL3MBTL1
SCHEMBL24004060 0.91 POLB (0.72) ACVRL1MAPTPOLBKDM4EL3MBTL1
SCHEMBL25822055 0.87 MAPT (0.74) ACVRL1MAPTPOLBKDM4EL3MBTL1
SCHEMBL30828582 0.83 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MAPK1
SCHEMBL30828552 0.83 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MAPK1
SCHEMBL23999623 0.83 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MAPK1
SCHEMBL23999629 0.82 MAPT (0.63) MAPTPOLBKDM4EL3MBTL1MAPK1
SCHEMBL23999624 0.82 MAPT (0.63) MAPTPOLBKDM4EL3MBTL1MAPK1
SCHEMBL24006426 0.82 ACVRL1 (0.53) ACVRL1MAPTPOLBNT5EJAK2
SCHEMBL24003854 0.81 KCNK3 (0.69) MAPTPOLBKDM4EL3MBTL1MAPK1

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-115996939-A AKT3 modulators 乔治穆内有限责任公司 2023-04-21 — — CN disclosed
EP-4146666-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 — — EP disclosed
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