SCHEMBL7369313

SCHEMBL7369313

N#Cc1ccc2noc(N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.40
APP P05067 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
DYRK1A Q13627 1/20 0.34
CHUK O15111 1/20 0.34
CDK8 P49336 3/20 0.34
ADORA2A P29274 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKACA P17612 1/20 0.34
LTK P29376 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK2 P49760 1/20 0.34
CDK9 P50750 1/20 0.34
LIMK1 P53667 1/20 0.34
CDK5 Q00535 1/20 0.34
MAP2K1 Q02750 1/20 0.34
LRRK2 Q5S007 1/20 0.34
AURKB Q96GD4 1/20 0.34
CLK4 Q9HAZ1 1/20 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
SCHEMBL2145154 0.72 MEN1 (0.47) DYRK1AADORA2AIDO1
SCHEMBL7158075 0.71 CYP2A6 (0.41) MAP4K4IRAK4CHUKLIMK1MAP3K14
SCHEMBL3507599 0.68 ESR1 (0.40) MAP4K4LIMK1IDO1CYP2A6
SCHEMBL30536133 0.68 ESR1 (0.40) MAP4K4LIMK1IDO1CYP2A6
SCHEMBL5884603 0.68 ADORA2A (0.50) MAP4K4ADORA2A
SCHEMBL3582506 0.68 NR4A2 (0.56) MAP4K4IRAK4CDK8DAPK3PRKACA
SCHEMBL17660499 0.68 MAP4K4 (0.77) MAP4K4IRAK4CDK8CCNCCDKN1A
SCHEMBL1420076 0.67 KCNJ1 (0.53) MAP4K4APPCSNK1A1PIN1CYP2A6
Hydrochloric Acid SCHEMBL3577659 0.67 NR4A2 (0.54) MAP4K4IRAK4CDK8DAPK3PRKACA
SCHEMBL18658788 0.67 MAP4K4 (0.45) MAP4K4APPIRAK4CHUKCDK8

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-1997049404-A1 ANTICOAGULANT AGENTS ELI LILLY AND COMPANY (US) 1997-12-31 WO disclosed