SCHEMBL6975872

SCHEMBL6975872

CCOC(=O)c1ccccc1-n1c(-c2cn(CCCCN)c3ccccc23)c(C#N)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
CAMK2D Q13557 7/20 0.40
PIM1 P11309 1/20 0.40
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAPT P10636 1/20 0.38
CNR2 P34972 2/20 0.37
RPS6KB1 P23443 1/20 0.37
F2RL3 Q96RI0 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
SCHEMBL6975870 0.87 SMN1; SMN2 (0.48) CNR1CAMK2DPIM1CCNT1CDK9
Acetic Acid SCHEMBL7679495 0.85 F2RL3 (0.47) CNR1CAMK2DPIM1CCNT1CDK9
SCHEMBL6980479 0.83 CAMK2D (0.45) CAMK2DPIM1CCNT1CDK9CCNA2
Acetic Acid SCHEMBL6983431 0.82 CAMK2D (0.48) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6975973 0.82 CAMK2D (0.53) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6977746 0.82 CAMK2D (0.51) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6980034 0.80 CCNT1 (0.48) CNR1CAMK2DPIM1CCNT1CDK9
Trifluoroacetic Acid SCHEMBL6985258 0.80 CAMK2D (0.39) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6985899 0.79 MAPT (0.40) CNR1CCNT1CDK9CCNA2CDK2
SCHEMBL6977406 0.79 CAMK2D (0.56) CAMK2DPIM1CCNT1CDK9RPS6KB1

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