SCHEMBL2935966

SCHEMBL2935966

CCn1c2cc(N3CC[C@@H](C(C)(C)N)C3)c(OCF)cc2c(=O)c2c(=O)[nH]sc21

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34

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
SCHEMBL608306 0.88
SCHEMBL608305 0.88
SCHEMBL9824093 0.76 PRKD3 (0.47)
SCHEMBL606908 0.75 KCNH2 (0.41)
SCHEMBL606909 0.75 KCNH2 (0.41)
SCHEMBL607795 0.75
SCHEMBL608980 0.75
SCHEMBL607794 0.75
Hydrochloric Acid SCHEMBL607955 0.74
Hydrochloric Acid SCHEMBL607954 0.74

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-1913004-B1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-09-22 EP claimed