SCHEMBL1448376

SCHEMBL1448376

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCCOCC4)c(Cl)c3)n2)n1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.61
CDK1 P06493 5/20 0.59
KCNH2 Q12809 7/20 0.57
CDK4 P11802 2/20 0.57
CDKL1 Q00532 1/20 0.57
SYK P43405 1/20 0.50

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
SCHEMBL29431926 1.00 CDK2 (0.61) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448611 0.97 CDK2 (0.64) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448629 0.93 CDK2 (0.63) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447436 0.91 KCNH2 (0.69) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1446871 0.90 CDK2 (0.67) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448097 0.88 CDK2 (0.71) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447605 0.88 CDK2 (0.75) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447688 0.87 KCNH2 (0.73) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447718 0.87 CDK2 (0.77) CDK2CDK1KCNH2CDK4
SCHEMBL1447867 0.86 CDK2 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906041-A1 CO-ADMINISTRATION OF INHIBITORS TO PRODUCE INSULIN PRODUCING GUT CELLS The Trustees of Columbia University in the City of New York (US) 2021-11-10 EP disclosed
WO-2020142646-A1 CO-ADMINISTRATION OF INHIBITORS TO PRODUCE INSULIN PRODUCING GUT CELLS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-07-09 WO disclosed
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed