SCHEMBL17968066

SCHEMBL17968066

CN(CC(N)=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ SARM1 Q6SZW1 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ SIRT4 Q9Y6E7 1/20 0.44
▸ NOTUM Q6P988 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ RECQL P46063 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ POLQ O75417 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL28709691 0.85 HTT (0.48) NOTUMHTTTRPV1GAACHRNB2
SCHEMBL13041718 0.80 HTT (0.43) F7F3SARM1SIRT2SIRT6
SCHEMBL1819931 0.80 NOTUM (0.53) NOTUMHTTTRPV1GAAPOLQ
SCHEMBL1532229 0.78 RXFP1 (0.48) HTTTSHRCYP3A4CYP2C9
SCHEMBL1577273 0.77 NOTUM (0.50) F7F3SARM1SIRT2SIRT6
Hydrochloric Acid SCHEMBL17785084 0.76 NOTUM (0.49) F7F3SARM1SIRT2SIRT6
SCHEMBL1850567 0.75 HTT (0.46) NOTUMHTTTRPV1GAAHPGD
SCHEMBL3230643 0.74 CHRNB2 (0.53) HTTTRPV1CHRNB2CHRNA4KCNN4
SCHEMBL6834283 0.74 POLB (0.51) NOTUMHTTTRPV1CHRNB2CHRNA4
SCHEMBL28786393 0.73 RECQL (0.45) F7F3SARM1SIRT2SIRT6

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
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 — — WO claimed
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