SCHEMBL6980594

SCHEMBL6980594

Cn1cc(-n2c(-c3cn(Cc4ccc(CN)cc4)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
CAMK2D Q13557 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PRKCB P05771 4/20 0.40
PRKCA P17252 4/20 0.40
PRKCD Q05655 2/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL6974638 0.94 PRKCB (0.40) PIM1CAMK2DSIRT2PRKCBPRKCA
Trifluoroacetic Acid SCHEMBL6986763 0.93 TPSAB1 (0.38) PIM1CAMK2DSIRT2PRKCBPRKCA
SCHEMBL6976156 0.89 CHRM1 (0.44) SIRT2PRKCAMEN1KMT2ASMN1; SMN2
SCHEMBL6984203 0.89 PIM1 (0.41) PIM1CAMK2DPRKCACCNT1CDK9
Trifluoroacetic Acid SCHEMBL6981001 0.87 TPSAB1 (0.41) PIM1CAMK2DSIRT2PRKCBPRKCA
SCHEMBL6977406 0.87 CAMK2D (0.56) PIM1CAMK2DCCNT1CDK9
SCHEMBL6983884 0.87 PIM1 (0.39) PIM1CAMK2DSIRT2PRKCBPRKCA
Hydrochloric Acid SCHEMBL6978191 0.86 PIM1 (0.39) PIM1CAMK2DSIRT2PRKCBPRKCA
SCHEMBL6975973 0.86 CAMK2D (0.53) PIM1CAMK2DPRKCACCNT1CDK9
SCHEMBL6983267 0.85 CCNE2 (0.45) PIM1CAMK2DCCNT1CDK9ALDH1A1

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-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