SCHEMBL4414341

SCHEMBL4414341

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NCC3CCN(C)CC3)on2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.40
MAPK14 Q16539 8/20 0.39
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
EPHA3 P29320 1/20 0.37
FRK P42685 1/20 0.37
MAPK13 O15264 1/20 0.36
HSPB1 P04792 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
NAMPT P43490 1/20 0.36
SRC P12931 1/20 0.35
SYK P43405 1/20 0.35
GSK3A P49840 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL4412696 0.90 USP30 (0.40) USP30RAF1BRAFGSK3A
SCHEMBL4420133 0.89 RAB9A (0.48) RAF1BRAFNPC1RAB9A
SCHEMBL4569989 0.88 DRD2 (0.44) RAB9A
SCHEMBL4411132 0.86 BRAF (0.38) MAPK14RAF1BRAF
SCHEMBL4565792 0.82 MAPT (0.41) MAPK14BRAFMAPK11NPC1RAB9A
SCHEMBL4413451 0.82 RAF1 (0.36) USP30MAPK14RAF1BRAF
SCHEMBL4410227 0.82 MAPK14 (0.38) MAPK14RAF1BRAF
SCHEMBL4411278 0.81 MAPT (0.37) RAF1BRAFNAMPTNPC1RAB9A
SCHEMBL4410129 0.81 MEN1 (0.44) MAPK14BRAFNAMPTNPC1RAB9A
SCHEMBL14473174 0.80 RAF1 (0.36) MAPK14RAF1BRAF

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