SCHEMBL6980550

SCHEMBL6980550

CNCCCn1cc(-c2c(C#N)[nH]c(=O)n2-c2cn(C)c3ccccc23)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.46
PRKACG P22612 2/20 0.46
PRKACB P22694 2/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
PIM1 P11309 2/20 0.42
CAMK2D Q13557 1/20 0.42
PRKCA P17252 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 2/20 0.38

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
Trifluoroacetic Acid SCHEMBL6979888 0.93 PRKACA (0.41) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL6979590 0.91 CCNT1 (0.42) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL7676681 0.90 CAMK2D (0.47) PRKACAPRKACGPRKACBCCNT1CDK9
SCHEMBL6983953 0.90 CCNT1 (0.43) PRKACAPRKACGPRKACBCDK4CCND1
Dimethylamine SCHEMBL6976140 0.90 CCNT1 (0.41) PRKACAPRKACGPRKACBCCNT1CDK9
SCHEMBL7678555 0.89 CCNT1 (0.42) PRKACAPRKACGPRKACBCCNT1CDK9
SCHEMBL6981727 0.89 CCNT1 (0.53) PRKACAPRKACGPRKACBCCNT1CDK9
SCHEMBL6977406 0.89 CAMK2D (0.56) PRKACAPRKACGPRKACBCCNT1CDK9
SCHEMBL6983101 0.89 CCNT1 (0.44) PRKACAPRKACGPRKACBCCNT1CDK9
SCHEMBL7672205 0.88 CAMK2D (0.48) PRKACAPRKACGPRKACBCCNT1CDK9

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 6 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
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