SCHEMBL14224615

SCHEMBL14224615

Cc1c(-c2nnc(NC[C@@H](N)Cc3ccc(CF)cc3)s2)ccc2[nH]ncc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.55
CDK2 P24941 15/20 0.55
SGK1 O00141 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
SCHEMBL1600691 0.91 AKT1 (0.65) AKT1CDK2
SCHEMBL1600696 0.91 AKT1 (0.65) AKT1CDK2
SCHEMBL1600693 0.91 AKT1 (0.65) AKT1CDK2
SCHEMBL1600776 0.90 AKT1 (0.67) AKT1CDK2SGK1
SCHEMBL1600774 0.90 AKT1 (0.67) AKT1CDK2SGK1
SCHEMBL1600778 0.90 AKT1 (0.67) AKT1CDK2SGK1
SCHEMBL1600922 0.81 AKT1 (0.68) AKT1CDK2
SCHEMBL1600919 0.81 AKT1 (0.68) AKT1CDK2
SCHEMBL1600926 0.81 AKT1 (0.68) AKT1CDK2
SCHEMBL1600709 0.74 AKT1 (0.60) AKT1CDK2SGK1

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-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US disclosed