SCHEMBL6983267

SCHEMBL6983267

Cn1cc(-c2c(C#N)[nH]c(=O)n2-c2cn(C)c3ccccc23)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
IMPDH2 P12268 1/20 0.43
PTPRC P08575 1/20 0.41
GSK3B P49841 1/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6973734 0.89 CAMK2D (0.56) CDK2CCNT1CDK9PIM1CAMK2D
SCHEMBL6977406 0.89 CAMK2D (0.56) CCNT1CDK9PIM1CAMK2D
SCHEMBL6983101 0.89 CCNT1 (0.44) CDK2GSK3BCCNT1CDK9MAPT
SCHEMBL6981727 0.89 CCNT1 (0.53) CDK2GSK3BCCNT1CDK9MAPT
SCHEMBL6975973 0.88 CAMK2D (0.53) CDK2CCNT1CDK9PIM1CAMK2D
Dimethylamine SCHEMBL6976140 0.88 CCNT1 (0.41) CDK2CCNT1CDK9PIM1CAMK2D
Hydrochloric Acid SCHEMBL6984367 0.88 CAMK2D (0.55) CDK2CCNT1CDK9PIM1CAMK2D
SCHEMBL6980550 0.87 PRKACA (0.46) CDK4CCND1CDK2GSK3BCCNT1
SCHEMBL6975188 0.87 PRKCA (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6984020 0.87 CDK4 (0.48) CCNE2CDK4CCND1CCNE1CDK2

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 8 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-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