SCHEMBL30726488

SCHEMBL30726488

Brc1cc2[nH]c(-c3cccc(Nc4ccc(-c5cccnn5)cc4)c3)nc2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDR P35968 11/20 0.39
▸ MET P08581 6/20 0.39
▸ KIT P10721 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MMP2 P08253 2/20 0.36

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
SCHEMBL31592925 0.89 KDR (0.42) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31592948 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL27039968 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31592870 0.87 KIT (0.43) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31592872 0.86 MMP13 (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27040123 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31592885 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31593009 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31592936 0.83 KDR (0.36) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL27040055 0.83 KIT (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 — — WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 — — WO disclosed
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