SCHEMBL6975973

SCHEMBL6975973

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.53
PIM1 P11309 2/20 0.53
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
RPS6KB1 P23443 1/20 0.42
PRKCA P17252 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42

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
SCHEMBL6977406 0.97 CAMK2D (0.56) CAMK2DPIM1CCNT1CDK9RPS6KB1
SCHEMBL6973734 0.93 CAMK2D (0.56) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL7672205 0.93 CAMK2D (0.48) CAMK2DPIM1CCNT1CDK9RPS6KB1
Trifluoroacetic Acid SCHEMBL6982808 0.92 CAMK2D (0.46) CAMK2DPIM1CCNT1CDK9CCNA2
Hydrochloric Acid SCHEMBL6984367 0.92 CAMK2D (0.55) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6980479 0.91 CAMK2D (0.45) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL7676681 0.91 CAMK2D (0.47) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6983186 0.90 CAMK2D (0.45) CAMK2DPIM1CCNT1CDK9CCNA2
Hydrochloric Acid SCHEMBL6981006 0.90 CAMK2D (0.44) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6977475 0.90 CAMK2D (0.48) CAMK2DPIM1CCNT1CDK9CCNA2

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 4 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-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