SCHEMBL30180372

SCHEMBL30180372

CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cn4)cn3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 7/20 0.46
DNMT3A Q9Y6K1 5/20 0.46
DNMT3L Q9UJW3 3/20 0.46
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MYC P01106 1/20 0.42
MAP2K3 P46734 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
DNMT3B Q9UBC3 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPKAPK2 P49137 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
HDAC3 O15379 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL23999538 1.00 DNMT1 (0.46) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL24000006 0.95 DNMT1 (0.53) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL25825374 0.95 DNMT1 (0.53) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL23999597 0.89 HTR2C (0.45) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL30180577 0.89 HTR2C (0.45) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL30180285 0.87 KMT2A (0.56) DNMT1DNMT3ADNMT3LHTR2CHTR2B
SCHEMBL19151414 0.87 KMT2A (0.56) DNMT1DNMT3ADNMT3LHTR2CHTR2B
SCHEMBL23999805 0.85 KMT2A (0.47) DNMT1DNMT3ADNMT3LHTR2CHTR2B
SCHEMBL23999441 0.85 MAPT (0.47) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL23999600 0.85 DNMT1 (0.49) DNMT1DNMT3ADNMT3LHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118524833-A AKT3 modulators 乔治穆内公司 2024-08-20 CN disclosed
CN-115867562-A AKT3 modulators 乔治穆内有限责任公司 2023-03-28 CN disclosed
EP-4146667-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 EP disclosed