SCHEMBL4412696

SCHEMBL4412696

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NC3CCN(C)CC3)on2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.40
GSK3A P49840 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
HSP90AA1 P07900 2/20 0.38
SSTR4 P31391 2/20 0.37
CSF1R P07333 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4414341 0.90 USP30 (0.40) USP30GSK3ARAF1BRAF
SCHEMBL5603910 0.90 USP30 (0.40) USP30GSK3ABRAFHSP90AA1SSTR4
SCHEMBL14473259 0.89 GSK3A (0.41) USP30GSK3ARAF1BRAFHSP90AA1
SCHEMBL4413451 0.83 RAF1 (0.36) USP30RAF1BRAFMAPT
SCHEMBL4420133 0.83 RAB9A (0.48) RAF1BRAF
SCHEMBL4411132 0.83 BRAF (0.38) RAF1BRAFMAPT
SCHEMBL4569989 0.83 DRD2 (0.44)
SCHEMBL14473174 0.81 RAF1 (0.36) RAF1BRAFMAPT
SCHEMBL4408296 0.81 RAF1 (0.36) RAF1BRAFMAPT
SCHEMBL4409883 0.80 MAPK14 (0.36) RAF1BRAFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed