SCHEMBL21757047

SCHEMBL21757047

c1cc(-c2ccc(-c3ccnc4c3ccc3cccnc34)c3ccccc23)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
CCR5 P51681 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BRD4 O60885 1/20 0.38
TOP2A P11388 1/20 0.37
TOP1 P11387 3/20 0.37
PIK3CD O00329 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL21757049 0.97 BRD4 (0.39) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL21537790 0.94 CCR1 (0.37) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL21757204 0.94 TOP1 (0.37) CCR1CCR8CCR5L3MBTL1TOP2A
SCHEMBL21757044 0.93 ERN1 (0.38) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL21537450 0.93 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL20352304 0.93 PIK3CA (0.39) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL21537449 0.91 ERN1 (0.37) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL21757040 0.91 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL21537542 0.90 TOP1 (0.36) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL21537445 0.90 CCR1 (0.41) CCR1CCR8CCR5L3MBTL1TOP2A

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
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed
US-11302873-B2 Organic light-emitting device LT MATERIALS CO, LTD. (KR) 2022-04-12 US disclosed
US-20200066996-A1 ORGANIC LIGHT-EMITTING DEVICE HEESUNG MATERIAL LTD. (KR) 2020-02-27 US disclosed