SCHEMBL17770545

SCHEMBL17770545

NC1C2=CC=NC2=Nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.34
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34

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
SCHEMBL17770373 0.89 NOS1 (0.32) NOS1NOS3NOS2
SCHEMBL8850719 0.62 HTR2A (0.60)
Methane SCHEMBL5316271 0.60
SCHEMBL14818104 0.58 NOS1 (0.37) NOS1NOS3NOS2
SCHEMBL4778465 0.57 TRPA1 (0.39) NOS1NOS3NOS2
SCHEMBL5150830 0.57 NOS3 (0.33) NOS1NOS3NOS2
SCHEMBL7381137 0.57 NOS2 (0.36) NOS1NOS3NOS2
SCHEMBL9006300 0.55 NOS1 (0.31) NOS1NOS3NOS2
SCHEMBL18570219 0.55 NOS1 (0.41) NOS1NOS3NOS2
SCHEMBL6306575 0.55 ANPEP (0.36) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3220912-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS Pharmacyclics LLC (US) 2017-09-27 EP claimed
WO-2016081460-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC (US) 2016-05-26 WO claimed
EP-4013880-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CureVac AG (DE) 2022-06-22 EP disclosed
WO-2021028439-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CUREVAC AG (DE) 2021-02-18 WO disclosed
EP-3220912-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS Pharmacyclics LLC (US) 2017-09-27 EP disclosed
WO-2016081460-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC (US) 2016-05-26 WO disclosed