SCHEMBL6975870

SCHEMBL6975870

CCOC(=O)c1ccc(-n2c(-c3cn(CCCCN)c4ccccc34)c(C#N)[nH]c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
F2RL3 Q96RI0 1/20 0.47
MAT2A P31153 1/20 0.42
CNR1 P21554 1/20 0.40
CAMK2D Q13557 7/20 0.40
PIM1 P11309 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BLM P54132 1/20 0.40
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
RPS6KB1 P23443 1/20 0.37
MPI P34949 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
Acetic Acid SCHEMBL7679495 0.98 F2RL3 (0.47) SMN1; SMN2NPC1GAAF2RL3MAT2A
SCHEMBL6975872 0.87 CNR1 (0.44) F2RL3CNR1CAMK2DPIM1CCNT1
SCHEMBL6981835 0.85 CAMK2D (0.43) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL6977088 0.83 CAMK2D (0.43) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL7671215 0.83 CAMK2D (0.49) CAMK2DPIM1CCNT1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6978549 0.82 GSK3B (0.39) CAMK2DPIM1CCNT1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6983727 0.81 CAMK2D (0.44) CAMK2DPIM1CCNT1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6980387 0.81 CAMK2D (0.39) CNR1CAMK2DPIM1CCNT1CCNA2
SCHEMBL6980479 0.79 CAMK2D (0.45) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL6975973 0.78 CAMK2D (0.53) CAMK2DPIM1CCNT1CCNA2CDK2

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