SCHEMBL22445682

SCHEMBL22445682

COc1cc2nccc(N3CCN(C(C)C)CC3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.68
EHMT2 Q96KQ7 5/20 0.58
EHMT1 Q9H9B1 5/20 0.58
NPC1 O15118 1/20 0.52
PDGFRB P09619 1/20 0.51
AURKA O14965 1/20 0.49
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
GAA P10253 1/20 0.46
CCR4 P51679 1/20 0.46
FLT3 P36888 1/20 0.45
NTSR1 P30989 1/20 0.45

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
SCHEMBL28688127 0.90 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445491 0.88 NCF1 (0.62) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22441475 0.88 NCF1 (0.62) NCF1EHMT2EHMT1NPC1PDGFRB
Hydrochloric Acid SCHEMBL22441512 0.87 NCF1 (0.61) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22455395 0.85 EHMT2 (0.59) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22455216 0.84 NCF1 (0.71) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL31457629 0.83 NCF1 (0.75) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445552 0.82 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL29358220 0.82 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL28931424 0.81 NCF1 (0.55) NCF1EHMT2EHMT1NPC1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941459-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2022-01-26 EP disclosed
WO-2020190912-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2020-09-24 WO disclosed