SCHEMBL18743335

SCHEMBL18743335

Cc1cc(-c2ccc(N(C)C3CCC3)cc2)c2c(C)nn(-c3ccccc3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 16/20 0.69
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ATM Q13315 1/20 0.43

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
SCHEMBL18694241 0.88 CFTR (0.88) CFTR
SCHEMBL18694351 0.85 CFTR (0.74) CFTRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL18694400 0.82 CFTR (1.00) CFTR
SCHEMBL18694338 0.80 CFTR (0.84) CFTR
SCHEMBL18694143 0.78 CFTR (0.82) CFTR
SCHEMBL18704434 0.78 CFTR (0.63) CFTRKDM4EALDH1A1HPGDTDP1
SCHEMBL18694185 0.76 CFTR (0.69) CFTRKDM4EALDH1A1
SCHEMBL18692158 0.74 CFTR (0.74) CFTR
SCHEMBL18693046 0.71 CFTR (0.72) CFTR
SCHEMBL18694649 0.71 CFTR (0.80) 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
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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