SCHEMBL17864341

SCHEMBL17864341

ONCc1cccc(-n2cccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
GLS O94925 2/20 0.48
PI4KB Q9UBF8 1/20 0.47
MPO P05164 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
NAMPT P43490 1/20 0.43
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
KAT6A Q92794 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL13452467 0.84 LMNA (0.57) LMNAGLSPI4KBMPOERCC1
SCHEMBL28079351 0.82 LMNA (0.61) LMNAGLSPI4KBMPOERCC1
SCHEMBL17864343 0.82 NOTUM (0.53) LMNAMPOKDM4EMAPK1NOTUM
SCHEMBL14438334 0.81 LMNA (0.53) LMNAGLSPI4KBMPOKDM4E
SCHEMBL15432474 0.81 LMNA (0.53) LMNAGLSPI4KBMPOKDM4E
SCHEMBL25426507 0.79 DGAT2 (0.53) LMNAKDM4EMEN1MAPTKMT2A
SCHEMBL30245937 0.79 DGAT2 (0.53) LMNAKDM4EMEN1MAPTKMT2A
SCHEMBL17629558 0.79 LMNA (0.57) LMNAGLSMPOERCC1ERCC4
SCHEMBL1793682 0.79 LMNA (0.78) LMNAGLSMPOERCC1ERCC4
SCHEMBL327273 0.79 LMNA (0.57) LMNAGLSMPOERCC1ERCC4

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-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed