SCHEMBL858164

SCHEMBL858164

Fc1ccc(-c2cccc3[nH]cc(Sc4cccs4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
MAPK14 Q16539 4/20 0.39
ABL1 P00519 3/20 0.39
KDR P35968 2/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39

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
SCHEMBL7976966 0.80 LRRK2 (0.38) MAPK14MAP4K4PRKACACLK2GSK3B
SCHEMBL856913 0.70 CDK2 (0.49) MAP4K4PRKACAGSK3BLRRK2CLK4
SCHEMBL28388751 0.69 TUBB4A (0.57) IDO1MAPTKDM4EALDH1A1RAB9A
SCHEMBL671445 0.66 CYP2A6 (0.54) NR4A2MAPK14ABL1KDRDAPK3
SCHEMBL6772507 0.65 FBP1 (0.48) MAPK14MAPTKDM4EALDH1A1HPGD
SCHEMBL31517791 0.64 NR4A2 (0.56) NR4A2MAPK14ABL1KDRDAPK3
SCHEMBL857088 0.63 LRRK2 (0.55) MAPK14RETDYRK1ALRRK2DYRK1B
SCHEMBL14845847 0.63 LRRK2 (0.39) NTRK1DYRK1ALRRK2DYRK1BALDH1A1
SCHEMBL858192 0.62 LRRK2 (0.43) ROCK1DYRK1ALRRK2DYRK1BRAB9A
SCHEMBL857285 0.60 LRRK2 (0.52) LRRK2MAPTALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed