SCHEMBL14142146

SCHEMBL14142146

CC([AsH2])C(=O)NCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
IDO1 P14902 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL14142145 1.00 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL11404 0.82 CTSS (0.42) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL19873061 0.80 MEN1 (0.45) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL15271574 0.80 CTSS (0.41) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL16338109 0.80 MEN1 (0.45) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL24595157 0.78 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL19198363 0.78 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL22972537 0.78 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL14712292 0.78 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL19135437 0.78 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B

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-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed