SCHEMBL16649918

SCHEMBL16649918

NC(=O)c1c([CH]CNCCO)ccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CD38 P28907 1/20 0.30
▸ PDCD1LG2 Q9BQ51 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL5406998 0.82 PBRM1 (0.34) —
SCHEMBL16649861 0.74 PBRM1 (0.32) KDM4E
SCHEMBL5800279 0.69 CES2 (0.39) —
SCHEMBL16649255 0.67 CDC7 (0.34) —
SCHEMBL16649739 0.67 CES2 (0.32) —
SCHEMBL12497720 0.66 CDC7 (0.35) —
SCHEMBL8676513 0.66 PBRM1 (0.43) ALDH1A1GAA
SCHEMBL15512168 0.66 PBRM1 (0.33) —
SCHEMBL12497243 0.65 PBRM1 (0.35) CD38
SCHEMBL12497303 0.64 CDC7 (0.34) —

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-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
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