SCHEMBL1447682

SCHEMBL1447682

CCCN(C)[C@H]1CCN(C(=O)c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 1.00
CDK1 P06493 9/20 1.00
KCNH2 Q12809 4/20 0.61
CDK4 P11802 1/20 0.54

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
SCHEMBL1447616 0.91 CDK2 (0.83) CDK2CDK1KCNH2CDK4
SCHEMBL1447236 0.91 CDK2 (0.83) CDK2CDK1KCNH2CDK4
SCHEMBL1447182 0.91 CDK2 (0.83) CDK2CDK1KCNH2CDK4
SCHEMBL1447952 0.88 CDK2 (0.78) CDK2CDK1KCNH2CDK4
SCHEMBL1447627 0.85 CDK2 (0.81) CDK2CDK1KCNH2CDK4
SCHEMBL1448024 0.85 CDK2 (0.81) CDK2CDK1KCNH2CDK4
SCHEMBL1448907 0.85 CDK2 (0.81) CDK2CDK1KCNH2CDK4
SCHEMBL1447815 0.84 CDK2 (0.80) CDK2CDK1KCNH2CDK4
SCHEMBL1447743 0.84 CDK2 (0.80) CDK2CDK1KCNH2CDK4
SCHEMBL1447364 0.84 CDK2 (0.88) CDK2CDK1KCNH2CDK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed