SCHEMBL7676579

SCHEMBL7676579

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
CDK2 P24941 2/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
PIM1 P11309 2/20 0.37
CCNA2 P20248 1/20 0.37
CAMK2D Q13557 1/20 0.37
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
IMPDH2 P12268 1/20 0.33

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
SCHEMBL6983953 0.86 CCNT1 (0.43) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL6976153 0.86 PIM1 (0.40) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6983267 0.85 CCNE2 (0.45) CCNT1CDK9CDK2CCNE2CDK4
Hydrochloric Acid SCHEMBL6975831 0.85 PIM1 (0.39) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6981727 0.85 CCNT1 (0.53) CCNT1CDK9CDK2PIM1CCNA2
Dimethylamine SCHEMBL6976140 0.84 CCNT1 (0.41) CCNT1CDK9CDK2PIM1CCNA2
SCHEMBL6980550 0.83 PRKACA (0.46) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL6983101 0.83 CCNT1 (0.44) CCNT1CDK9CDK2PIM1CCNA2
SCHEMBL6977406 0.83 CAMK2D (0.56) CCNT1CDK9PIM1CAMK2DPRKACA
SCHEMBL6975973 0.82 CAMK2D (0.53) CCNT1CDK9CDK2PIM1CCNA2

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 1 patent. 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