SCHEMBL18743623

SCHEMBL18743623

CCOC(=O)c1cc(-c2ccc(NC)cc2)c2c(C)nn(-c3ccccc3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 14/20 0.63
▸ MAPT P10636 1/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL18732473 0.88 CFTR (0.63) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL18692799 0.88 CFTR (0.63) CFTRMEN1KMT2AKDM4EHSD17B10
SCHEMBL18692053 0.86 CFTR (0.65) CFTRMEN1KMT2AKDM4EHSD17B10
SCHEMBL18694527 0.86 CFTR (0.56) CFTRMEN1KMT2AKDM4EHSD17B10
SCHEMBL18694088 0.85 CFTR (0.68) CFTR
SCHEMBL18739927 0.85 CFTR (0.68) CFTRMEN1KMT2AKDM4EHSD17B10
SCHEMBL18717664 0.84 CFTR (0.59) CFTRKDM4EHSD17B10HPGD
SCHEMBL18732764 0.83 CFTR (0.80) CFTR
SCHEMBL18694702 0.83 CFTR (0.61) CFTR
SCHEMBL18732252 0.83 CFTR (0.71) CFTRMEN1KMT2AKDM4EHSD17B10

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-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — WO disclosed
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