SCHEMBL30290811

SCHEMBL30290811

Cc1cc(Nc2cccc(C(=O)Nc3cccc(Nc4ccccc4)c3)c2)cc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 8/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ KCNK9 Q9NPC2 6/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ POLB P06746 2/20 0.53
▸ DNMT1 P26358 2/20 0.52
▸ EHMT1 Q9H9B1 2/20 0.52
▸ DNMT3L Q9UJW3 2/20 0.52
▸ DNMT3A Q9Y6K1 2/20 0.52
▸ KCNH2 Q12809 1/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SIRT2 Q8IXJ6 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL24010669 1.00 KCNK3 (0.53) KCNK3KMT2AKCNK9MEN1POLB
SCHEMBL26321817 0.87 ABL1 (0.51) KCNK3KMT2AKCNK9MEN1POLB
SCHEMBL30287677 0.85 POLB (0.55) KCNK3KMT2AKCNK9MEN1POLB
SCHEMBL30232750 0.85 POLB (0.55) KCNK3KMT2AKCNK9MEN1POLB
SCHEMBL24006110 0.85 POLB (0.55) KCNK3KMT2AKCNK9MEN1POLB
SCHEMBL24003919 0.85 POLB (0.55) KCNK3KMT2AKCNK9MEN1POLB
SCHEMBL25488639 0.85 DNMT1 (0.45) KCNK3KMT2AKCNK9MEN1POLB
SCHEMBL24010134 0.82 BRAF (0.49) KMT2AMEN1DNMT1EHMT1DNMT3L
SCHEMBL30290823 0.82 BRAF (0.49) KMT2AMEN1DNMT1EHMT1DNMT3L
SCHEMBL24010657 0.81 BRAF (0.57) KCNK3KMT2AKCNK9MEN1POLB

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
Send feedback