SCHEMBL4728996

SCHEMBL4728996

COc1cc2ncnc(N3CCC3)c2cc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.74
ACHE P22303 4/20 0.72
BACE1 P56817 4/20 0.72
AURKA O14965 3/20 0.69
PDGFRB P09619 2/20 0.64
PDGFRA P16234 1/20 0.62
PDE3A Q14432 1/20 0.62

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
SCHEMBL4726963 0.98 KIT (0.74) KITACHEBACE1AURKAPDGFRB
SCHEMBL23762351 0.91 ENPP1 (0.68) KITACHEBACE1AURKAPDGFRB
SCHEMBL29055085 0.90 PDGFRB (0.69) KITACHEBACE1AURKAPDGFRB
Hydrochloric Acid SCHEMBL30080215 0.90 ENPP1 (0.67) KITACHEBACE1AURKAPDGFRB
Hydrochloric Acid SCHEMBL23726648 0.90 ENPP1 (0.67) KITACHEBACE1AURKAPDGFRB
SCHEMBL23762457 0.88 ENPP1 (0.65) KITACHEBACE1AURKAPDGFRB
SCHEMBL23726611 0.85 TLR9 (0.71) KITACHEBACE1AURKAPDGFRB
SCHEMBL30080195 0.85 TLR9 (0.71) KITACHEBACE1AURKAPDGFRB
SCHEMBL16109511 0.85 KIT (1.00) KIT
SCHEMBL23727309 0.85 ENPP1 (0.61) KITACHEBACE1AURKAPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed