SCHEMBL19465582

SCHEMBL19465582

O=C(O)c1ccc2c(C3CCC3)nn(-c3ccccc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 18/20 0.54
▸ RPA1 P27694 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 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
SCHEMBL19465571 0.87 CFTR (0.52) CFTRKDM4EALDH1A1HPGD
SCHEMBL18717671 0.80 CFTR (0.64) CFTR
SCHEMBL18692236 0.80 CFTR (0.64) CFTR
SCHEMBL19465609 0.78 CFTR (0.42) CFTRKDM4E
SCHEMBL18693922 0.77 CFTR (0.62) CFTRALDH1A1
SCHEMBL18694011 0.76 CFTR (0.60) CFTR
SCHEMBL19465578 0.76 KDM4E (0.60) CFTRKDM4EALDH1A1HPGD
SCHEMBL18694727 0.75 CFTR (0.59) CFTR
SCHEMBL18693073 0.75 CFTR (0.75) CFTR
SCHEMBL18694703 0.75 CFTR (0.75) CFTR

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-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 — — US disclosed
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