SCHEMBL2606403

SCHEMBL2606403

Bc1cnc(NC(=O)N(C2CCCCC2)C2CCC(C3C=CC=CC3)CC2)s1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 1/20 0.30

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
SCHEMBL2606337 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NPC1GAARAB9ACCNE1
SCHEMBL2665346 0.83 CDK2 (0.37) CCNE1CDK2CDK5
SCHEMBL9072537 0.83 CDK2 (0.37) CCNE1CDK2CDK5
SCHEMBL13639772 0.83 CDK2 (0.37) CCNE1CDK2CDK5
SCHEMBL2665362 0.81 CDK2 (0.35) SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL2665341 0.81 CDK2 (0.36) CCNE1CDK2CDK5
SCHEMBL2665326 0.81 CDK2 (0.36) CCNE1CDK2CDK5
SCHEMBL2665339 0.81 CDK2 (0.35) SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL2606408 0.81 CDK2 (0.41) CCNE1CDK2CDK5
SCHEMBL2606472 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9ACCNE1

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-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed