SCHEMBL6981835

SCHEMBL6981835

COc1ccc(-n2c(-c3cn(CCCCN)c4ccccc34)c(C#N)[nH]c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 12/20 0.43
PIM1 P11309 1/20 0.43
GSK3B P49841 3/20 0.43
KDR P35968 2/20 0.43
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
QPCT Q16769 1/20 0.41
RPS6KB1 P23443 1/20 0.40
FLT3 P36888 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CNR2 P34972 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6978549 0.93 GSK3B (0.39) CAMK2DPIM1GSK3BKDRCCNT1
SCHEMBL7671215 0.91 CAMK2D (0.49) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL6977088 0.87 CAMK2D (0.43) CAMK2DPIM1CCNT1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6983727 0.85 CAMK2D (0.44) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL6975870 0.85 SMN1; SMN2 (0.48) CAMK2DPIM1CCNT1CCNA2CDK2
Acetic Acid SCHEMBL7679495 0.83 F2RL3 (0.47) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL6975973 0.82 CAMK2D (0.53) CAMK2DPIM1CCNT1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6980387 0.81 CAMK2D (0.39) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL6980479 0.81 CAMK2D (0.45) CAMK2DPIM1CCNT1CCNA2CDK2
SCHEMBL6977746 0.80 CAMK2D (0.51) 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 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