SCHEMBL6977867

SCHEMBL6977867

Cn1cc(-c2c(C#N)[nH]c(=O)n2-c2cn(C(=O)OCC(Cl)(Cl)Cl)c3ccccc23)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
GSK3B P49841 5/20 0.33
GSK3A P49840 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PIM1 P11309 1/20 0.33
CAMK2D Q13557 1/20 0.33
PRKCA P17252 1/20 0.32

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
SCHEMBL7010209 0.82 PIM1 (0.37) CCNT1CDK9GSK3BGSK3ACCNE2
SCHEMBL6983267 0.82 CCNE2 (0.45) CCNT1CDK9GSK3BCCNE2CDK4
SCHEMBL6983870 0.81 L3MBTL1 (0.36) ATMCCNT1CDK9GSK3BPIM1
SCHEMBL6980034 0.78 CCNT1 (0.48) CCNT1CDK9CDK2PIM1CAMK2D
SCHEMBL6981894 0.78 MAPT (0.37) CCNT1CDK9GSK3BCDK2PIM1
SCHEMBL6981135 0.77 ALDH1A1 (0.40) CCNT1CDK9GSK3BCDK2CAMK2D
SCHEMBL6985899 0.77 MAPT (0.40) CCNT1CDK9CDK2
SCHEMBL6973734 0.77 CAMK2D (0.56) CCNT1CDK9CDK2PIM1CAMK2D
Hydrochloric Acid SCHEMBL6984367 0.76 CAMK2D (0.55) CCNT1CDK9CDK2PIM1CAMK2D
SCHEMBL7013228 0.75 PIM1 (0.42) CCNT1CDK9GSK3BGSK3ACCNE2

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 2 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 disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed