SCHEMBL22445489

SCHEMBL22445489

COc1cc2nccc(N3CCN(C(=O)O)[C@@H](C)C3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.55
EHMT2 Q96KQ7 5/20 0.54
EHMT1 Q9H9B1 5/20 0.54
PDGFRB P09619 3/20 0.52
PDGFRA P16234 1/20 0.52
ROCK2 O75116 1/20 0.44
PRKG1 Q13976 1/20 0.44
NPC1 O15118 1/20 0.43
KIT P10721 4/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RBP4 P02753 1/20 0.41

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
SCHEMBL22445545 0.87 NCF1 (0.53) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL29357479 0.87 NCF1 (0.53) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL22441524 0.87 NCF1 (0.53) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL22441526 0.87 NCF1 (0.53) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL22441534 0.80 EHMT2 (0.52) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL22445496 0.80 EHMT2 (0.52) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL28688135 0.78 EHMT2 (0.56) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL28688137 0.78 EHMT2 (0.56) NCF1EHMT2EHMT1PDGFRBPDGFRA
SCHEMBL22441506 0.77 NCF1 (0.54) NCF1EHMT2EHMT1PDGFRBNPC1
SCHEMBL22441574 0.77 EHMT2 (0.63) NCF1EHMT2EHMT1PDGFRBNPC1

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