SCHEMBL4864875

SCHEMBL4864875

CCc1cc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)ccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.73
CDK2 P24941 15/20 0.70
CDK1 P06493 7/20 0.62
CDK4 P11802 1/20 0.56
CDKL1 Q00532 1/20 0.56

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
SCHEMBL2924704 0.90 KCNH2 (0.82) KCNH2CDK2CDK1CDK4CDKL1
SCHEMBL2926867 0.85 KCNH2 (0.77) KCNH2CDK2CDK1CDK4CDKL1
SCHEMBL27382932 0.84 CDK2 (0.83) KCNH2CDK2CDK1
SCHEMBL30828143 0.84 CDK2 (0.83) KCNH2CDK2CDK1
Lithium Ion SCHEMBL2924705 0.83 KCNH2 (0.81) KCNH2CDK2CDK1CDK4CDKL1
SCHEMBL1447527 0.83 CDK2 (0.81) KCNH2CDK2CDK1
SCHEMBL4516321 0.83 CDK2 (1.00) KCNH2CDK2CDK1CDK4CDKL1
SCHEMBL2924335 0.81 CDK2 (0.81) KCNH2CDK2CDK1CDK4CDKL1
SCHEMBL2925264 0.80 CDK2 (1.00) KCNH2CDK2CDK1CDK4CDKL1
SCHEMBL1447285 0.80 CDK2 (0.76) KCNH2CDK2CDK1

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-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO disclosed