SCHEMBL7822940

SCHEMBL7822940

Cc1[nH]c2ccccc2c1-n1c(C#N)c(-c2c(CCCCN)[nH]c3ccccc23)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.38
NPEPPS P55786 2/20 0.36
PDE9A O76083 5/20 0.35
PDE1C Q14123 1/20 0.35
CCR6 P51684 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7820462 0.92 CAMK2D (0.34) CAMK2DNPEPPSPDE9APDE1C
SCHEMBL7812544 0.90 NPEPPS (0.38) CAMK2DNPEPPSPDE9APDE1CKDM4E
Trifluoroacetic Acid SCHEMBL7822064 0.90 HDAC3 (0.35) CAMK2DPDE9APDE1CMAPTKMT2A
SCHEMBL7827359 0.90 CAMK2D (0.40) CAMK2DNPEPPSPDE9APDE1CCCR6
SCHEMBL7812676 0.90 PDE9A (0.36) CAMK2DNPEPPSPDE9APDE1CCCR6
SCHEMBL7823992 0.88 PDE9A (0.35) CAMK2DNPEPPSPDE9APDE1CKDM4E
SCHEMBL7819430 0.85 ALDH1A1 (0.36) CAMK2DNPEPPSPDE9APDE1CKDM4E
SCHEMBL7819975 0.84 NPEPPS (0.38) CAMK2DNPEPPSPDE9APDE1CCCR6
SCHEMBL7820731 0.84 PDE9A (0.37) CAMK2DNPEPPSPDE9APDE1CCCR6
SCHEMBL7819804 0.83 PDE9A (0.34) CAMK2DNPEPPSPDE9APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP claimed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO claimed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed