SCHEMBL6980034

SCHEMBL6980034

CCOC(=O)n1cc(-n2c(-c3cn(CCCCC#N)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
MAPT P10636 1/20 0.38
CNR1 P21554 3/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CAMK2D Q13557 2/20 0.34
PIM1 P11309 1/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL6985899 0.90 MAPT (0.40) CCNT1CDK9CCNA2CDK2MAPT
SCHEMBL6981894 0.89 MAPT (0.37) CCNT1CDK9CCNA2CDK2MAPT
SCHEMBL6981135 0.89 ALDH1A1 (0.40) CCNT1CDK9CCNA2CDK2MAPT
SCHEMBL6981727 0.82 CCNT1 (0.53) CCNT1CDK9CCNA2CDK2MAPT
SCHEMBL6980479 0.81 CAMK2D (0.45) CCNT1CDK9CCNA2CDK2CAMK2D
SCHEMBL6975872 0.80 CNR1 (0.44) CCNT1CDK9CCNA2CDK2MAPT
SCHEMBL6977867 0.78 ATM (0.35) CCNT1CDK9CDK2CAMK2DPIM1
SCHEMBL6975973 0.78 CAMK2D (0.53) CCNT1CDK9CCNA2CDK2CAMK2D
Trifluoroacetic Acid SCHEMBL6985258 0.78 CAMK2D (0.39) CCNT1CDK9CCNA2CDK2CNR2
SCHEMBL6977406 0.77 CAMK2D (0.56) CCNT1CDK9CAMK2DPIM1

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 5 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-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