SCHEMBL6980073

SCHEMBL6980073

N#Cc1[nH]c(=O)n(-c2csc3ccccc23)c1-c1cn(CCCN)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 15/20 0.56
KISS1R Q969F8 1/20 0.44
PIM1 P11309 1/20 0.44
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
RPS6KB1 P23443 1/20 0.43
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 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
Acetic Acid SCHEMBL6983601 0.95 CAMK2D (0.52) CAMK2DKISS1RPIM1PRKCBPRKCA
SCHEMBL7005339 0.84 CAMK2D (0.55) CAMK2DKISS1RPIM1PRKCBPRKCA
SCHEMBL6977406 0.84 CAMK2D (0.56) CAMK2DPIM1RPS6KB1PRKACAPRKACG
SCHEMBL6981937 0.82 CAMK2D (0.56) CAMK2DPIM1PRKCBPRKCAPRKCH
SCHEMBL6973734 0.82 CAMK2D (0.56) CAMK2DPIM1PRKCARPS6KB1PRKACA
SCHEMBL7004584 0.82 CAMK2D (0.61) CAMK2DKISS1RPIM1PRKCBPRKCA
Acetic Acid SCHEMBL7007558 0.81 CAMK2D (0.53) CAMK2DKISS1RPIM1PRKCBPRKCA
SCHEMBL6975973 0.81 CAMK2D (0.53) CAMK2DPIM1PRKCARPS6KB1PRKACA
Hydrochloric Acid SCHEMBL6984367 0.81 CAMK2D (0.55) CAMK2DPIM1PRKCARPS6KB1PRKACA
SCHEMBL6977746 0.81 CAMK2D (0.51) CAMK2DPIM1PRKCBPRKCAPRKCH

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-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP claimed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US claimed
EP-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed