SCHEMBL6983101

SCHEMBL6983101

Cn1cc(-n2c(-c3cn(CCCBr)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
PIM1 P11309 3/20 0.44
CAMK2D Q13557 1/20 0.44
PRKCA P17252 2/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
IDH1 O75874 1/20 0.39
MEN1 O00255 1/20 0.39
CASK O14936 1/20 0.39
RPS6KA5 O75582 1/20 0.39
CCNK O75909 1/20 0.39
STK10 O94804 1/20 0.39
PRKD3 O94806 1/20 0.39
TP53 P04637 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39

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
SCHEMBL6977406 0.90 CAMK2D (0.56) CCNT1CDK9PIM1CAMK2DPRKACA
SCHEMBL6981727 0.90 CCNT1 (0.53) CCNT1CDK9PIM1CAMK2DPRKCA
SCHEMBL6975973 0.89 CAMK2D (0.53) CCNT1CDK9PIM1CAMK2DPRKCA
SCHEMBL6983267 0.89 CCNE2 (0.45) CCNT1CDK9PIM1CAMK2DCDK2
SCHEMBL6975188 0.89 PRKCA (0.57) CCNT1CDK9PIM1CAMK2DPRKCA
SCHEMBL6980550 0.89 PRKACA (0.46) CCNT1CDK9PIM1CAMK2DPRKCA
Dimethylamine SCHEMBL6976140 0.87 CCNT1 (0.41) CCNT1CDK9PIM1CAMK2DPRKCA
SCHEMBL6979590 0.87 CCNT1 (0.42) CCNT1CDK9PIM1CAMK2DPRKCA
SCHEMBL6973734 0.86 CAMK2D (0.56) CCNT1CDK9PIM1CAMK2DPRKCA
SCHEMBL7676681 0.86 CAMK2D (0.47) CCNT1CDK9PIM1CAMK2DPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US claimed
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-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
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