SCHEMBL14907671

SCHEMBL14907671

O=C(C#Cc1ccccc1)NCc1cccc(NC(=S)NCc2ccnc3[nH]ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.44
RAB9A P51151 1/20 0.42
BRAF P15056 2/20 0.41
HPGD P15428 2/20 0.39
MAOB P27338 2/20 0.39
QPCT Q16769 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
BTK Q06187 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RET P07949 1/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.37

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
SCHEMBL14894201 0.94 VCP (0.48) VCPRAB9ABRAFHPGDMAOB
SCHEMBL14894239 0.92 ALOX12 (0.42) VCPBRAFHPGDLMNABTK
SCHEMBL16141489 0.91 BRAF (0.49) VCPBRAFBTKKMT2AMEN1
SCHEMBL14894031 0.89 VCP (0.50) VCPBRAFBTKRETKMT2A
SCHEMBL14907714 0.87 VCP (0.48) VCPBRAFBTKRETGFER
SCHEMBL14894069 0.86 VCP (0.37) VCPRET
SCHEMBL14894298 0.83 VCP (0.48) VCPBRAFHPGDBTKALDH1A1
SCHEMBL14907668 0.83 VCP (0.37) VCPBTKRET
SCHEMBL14894295 0.82 BTK (0.42) RAB9ABRAFBTKRETKMT2A
SCHEMBL14894064 0.82 VCP (0.46) VCPBRAFBTKRETGFER

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-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO disclosed