SCHEMBL6233558

SCHEMBL6233558

Fc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.51
DHFR P00374 1/20 0.45
SRPK1 Q96SB4 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6239309 0.78 RPS6KB2 (0.70) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL31393470 0.73 RPS6KB2 (0.74) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL16027135 0.73 RPS6KB2 (0.74) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL2860819 0.72 DHFR (0.54) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL6234475 0.72 RPS6KB2 (0.53) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL6232905 0.72 RPS6KB2 (0.65) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL19066635 0.71 RPS6KB2 (0.71) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL6234970 0.71 RPS6KB2 (0.60) RPS6KB2DHFRSRPK1NPC1RAB9A
SCHEMBL1086146 0.70 RPS6KB2 (0.63) RPS6KB2DHFRSRPK1NPC1RAB9A
Bromide SCHEMBL19066634 0.70 RPS6KB2 (0.69) RPS6KB2DHFRSRPK1NPC1RAB9A

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-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 WO disclosed