SCHEMBL13656124

SCHEMBL13656124

CCC(C)C(=O)NCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL17071901 1.00 CTSS (0.40) CTSSCTSKGAATSHRUSP2
SCHEMBL19198363 1.00 CTSS (0.40) CTSSCTSKGAATSHRUSP2
SCHEMBL18964373 0.85 GAA (0.36) CTSSCTSKGAATSHRUSP2
SCHEMBL14712238 0.83 GAA (0.36) CTSSCTSKGAATSHRUSP2
SCHEMBL24595157 0.83 CTSS (0.40) CTSSCTSKGAATSHRPSEN1
SCHEMBL15354736 0.83 GAA (0.37) GAATSHRUSP2HSD17B10CA1
SCHEMBL10093672 0.83 GAA (0.37) GAATSHRUSP2HSD17B10CA1
SCHEMBL11404 0.82 CTSS (0.42) CTSSCTSKGAAPSEN1PSEN2
SCHEMBL12975647 0.81 PIK3CD (0.38) CTSSCTSKGAATSHRUSP2
SCHEMBL28121984 0.81 CTSS (0.39) CTSSCTSKGAAPSEN1PSEN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432311-A Processes and intermediates for producing azaindoles 沃泰克斯药物股份有限公司 2017-02-22 CN disclosed
EP-1973911-B1 AZAINDOLES USEFUL FOR THE TREATMENT OF (INTER ALIA) PROLIFERATIVE, CARDIAC, NEURODEGENERATIVE, AUTOIMMUNE OR INFLAMMATORY DISORDERS VERTEX PHARMA (US) 2016-01-13 EP disclosed
WO-2015027005-A1 ISOTOPICALLY ENRICHED AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-26 WO disclosed
EP-2763535-A1 AZAINDOLES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052355-A1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
EP-2559694-A2 Azaindoles useful as inhibitors of Janus kinases Vertex Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
EP-2537849-A2 Azaindoles useful as inhibitors of janus kinases Vertex Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
WO-2007084557-A2 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-26 WO disclosed