SCHEMBL14070852

SCHEMBL14070852

O=C(NCc1ccccc1)C1=CC(c2ncc(F)c(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)CN1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 20/20 0.44

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
SCHEMBL14070858 0.88 CNR1 (0.34) AADAT
SCHEMBL10044734 0.79 AADAT (0.45) AADAT
SCHEMBL13060168 0.76 AADAT (0.36) AADAT
SCHEMBL10044624 0.72 GUCY1B2 (0.40) AADAT
SCHEMBL10044617 0.72 F2 (0.41) AADAT
SCHEMBL10044597 0.72 F2 (0.41) AADAT
SCHEMBL10044611 0.72 GUCY1B2 (0.40) AADAT
SCHEMBL2630352 0.71 JAK3 (0.55)
SCHEMBL2630353 0.71 JAK3 (0.55)
SCHEMBL13305968 0.70 GUCY1B2 (0.40) AADAT

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-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO disclosed