SCHEMBL21757040

SCHEMBL21757040

c1cc(-c2ncc(-c3ccnc4c3ccc3cccnc34)cn2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.36
CCR8 P51685 5/20 0.36
CCR5 P51681 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RECQL P46063 1/20 0.36
TOP2A P11388 1/20 0.35
TOP1 P11387 3/20 0.35
CYP1A2 P05177 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL21757207 0.93 MAPT (0.36) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL21757117 0.91 CCR1 (0.39) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL21757047 0.91 CCR1 (0.39) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL21757208 0.90 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL20352304 0.90 PIK3CA (0.39) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL21757039 0.89 TOP1 (0.36) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL21537790 0.89 CCR1 (0.37) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL21537477 0.88 ECE1 (0.34) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL21757044 0.88 ERN1 (0.38) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL21537450 0.88 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1LMNA

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