SCHEMBL409976

SCHEMBL409976

Cc1cccc(-c2nc3cc(C(=O)OCC(N)=O)ccn3c2-c2ccnc(N)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
IGF1R P08069 1/20 0.40

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
SCHEMBL414224 0.92 AKT1 (0.46) CDK4CDK2AKT1AKT2IGF1R
SCHEMBL415581 0.87 CDK4 (0.47) CDK4CDK2IGF1R
SCHEMBL409134 0.85 CDK4 (0.47) CDK4CDK2IGF1R
SCHEMBL413069 0.83 IGF1R (0.47) CDK4CDK2IGF1R
SCHEMBL412686 0.83 IGF1R (0.49) CDK4CDK2AKT1AKT2IGF1R
SCHEMBL408611 0.82 IGF1R (0.47) CDK4CDK2AKT1AKT2IGF1R
SCHEMBL411785 0.82 IGF1R (0.40) CDK4CDK2IGF1R
SCHEMBL413247 0.81 IGF1R (0.47) CDK4CDK2IGF1R
SCHEMBL409975 0.81 IGF1R (0.46) CDK4CDK2IGF1R
SCHEMBL413288 0.81 AKT1 (0.44) AKT1AKT2

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
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed