SCHEMBL20083020

SCHEMBL20083020

C1=Cc2c(n(-c3ccccc3)c3ccc4c(c5ccccc5n4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ IL1R1 P14778 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL25829189 0.93 KDM4E (0.35) L3MBTL1KDM4EATMABCG2KMT2A
SCHEMBL14232819 0.92 KDM4E (0.34) L3MBTL1KDM4EATMABCG2
SCHEMBL26058023 0.88 MEN1 (0.34) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL19801310 0.86 PTGER4 (0.34) L3MBTL1KDM4EATMABCG2
SCHEMBL24929861 0.86 KDM4E (0.35) L3MBTL1KDM4EATMABCG2KMT2A
SCHEMBL26371892 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL26795725 0.85 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL13465838 0.85 MEN1 (0.33) L3MBTL1KDM4EKMT2AMEN1LMNA
SCHEMBL12175647 0.84 MAPK1 (0.32) L3MBTL1KDM4EKMT2AMEN1NPC1
SCHEMBL12693860 0.84 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984152-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2018-04-25 — — EP disclosed
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