SCHEMBL20146376

SCHEMBL20146376

CN1c2ccccc2N2C=NC3=C(C=CCC3)C12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
PDGFRB P09619 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL21921297 0.75 HTT (0.32) HTTPDGFRBLMNA
SCHEMBL22619303 0.71 PDGFRB (0.45) HTTPDGFRBLMNA
SCHEMBL22619366 0.68 PDGFRB (0.38) HTTPDGFRBLMNA
SCHEMBL21920153 0.67 LMNA (0.38) HTTPDGFRBLMNA
SCHEMBL30541821 0.57 PDGFRB (0.73) HTTPDGFRBLMNA
SCHEMBL21250753 0.56 PDGFRB (0.46) HTTPDGFRBLMNA
SCHEMBL29403090 0.56 PDGFRB (0.64) HTTPDGFRBLMNA
SCHEMBL993337 0.56 PDGFRB (0.64) HTTPDGFRBLMNA
SCHEMBL1996858 0.55 BRPF1 (0.33) HTTLMNA
SCHEMBL31067335 0.55 BRPF1 (0.33) HTTLMNA

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-3330262-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE CONTAINING SAME LG CHEMICAL LTD (KR) 2021-07-28 EP disclosed
EP-3321246-B1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-04-15 EP disclosed
EP-3321246-A2 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2018-05-16 EP disclosed