SCHEMBL18654864

SCHEMBL18654864

O=C(NC1=CC=CNC1)c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 12/20 0.47
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EPHB3 P54753 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL18654872 0.82 IRAK4 (0.47) IRAK4HTTSMN1; SMN2EPHB3KMT2A
SCHEMBL18654870 0.78 IRAK4 (0.48) IRAK4SMN1; SMN2EPHB3KMT2AMEN1
SCHEMBL21765953 0.77 IRAK4 (0.50) IRAK4HTTSMN1; SMN2KMT2APOLB
SCHEMBL20355593 0.77 IRAK4 (0.53) IRAK4HTTSMN1; SMN2EPHB3KMT2A
SCHEMBL14897370 0.75 IRAK4 (0.52) IRAK4EPHB3KMT2AMEN1
SCHEMBL14897368 0.74 IRAK4 (0.46) IRAK4SMN1; SMN2KMT2AMEN1POLB
SCHEMBL14897258 0.74 IRAK4 (0.48) IRAK4SMN1; SMN2KMT2AMEN1POLB
SCHEMBL14897731 0.74 IRAK4 (0.46) IRAK4HTTSMN1; SMN2EPHB3
SCHEMBL21637243 0.74 HTT (0.47) IRAK4HTTSMN1; SMN2KMT2AMEN1
SCHEMBL21765821 0.74 IRAK4 (0.48) IRAK4

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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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