SCHEMBL23924040

SCHEMBL23924040

NC(=O)c1cccc(-c2ccccn2)c1-c1cncs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
PIK3CD O00329 1/20 0.46
TGFBR1 P36897 2/20 0.42
PARP1 P09874 2/20 0.42
DHODH Q02127 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PIM1 P11309 1/20 0.40
CHEK2 O96017 2/20 0.39
CHEK1 O14757 1/20 0.39
BTK Q06187 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
BCAT2 O15382 1/20 0.38
TGFBR2 P37173 1/20 0.38
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
JAK2 O60674 1/20 0.36

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
SCHEMBL23924041 0.93 PIK3CD (0.51) GRM5PIK3CDTGFBR1PARP1DHODH
SCHEMBL2487987 0.78 PIK3CD (0.52) GRM5PIK3CDPARP1KEAP1NFE2L2
SCHEMBL31227380 0.78 PIK3CD (0.52) GRM5PIK3CDPARP1KEAP1NFE2L2
SCHEMBL2943452 0.78 GRM5 (0.54) GRM5PARP1DHODHPARP2KEAP1
SCHEMBL31249984 0.76 GRM5 (0.64) GRM5TGFBR1PARP1DHODHPARP2
SCHEMBL29506339 0.76 GRM5 (0.64) GRM5TGFBR1PARP1DHODHPARP2
SCHEMBL997865 0.76 GRM5 (0.64) GRM5TGFBR1PARP1DHODHPARP2
SCHEMBL31249988 0.76 GRM5 (0.64) GRM5TGFBR1PARP1DHODHPARP2
Hydrochloric Acid SCHEMBL28843225 0.75 GRM5 (0.62) GRM5TGFBR1PARP1DHODHPARP2
Hydrochloric Acid SCHEMBL30105351 0.75 GRM5 (0.62) GRM5TGFBR1PARP1DHODHPARP2

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
US-20210322404-A1 FGFR REGULATION FOR THE TREATMENT OF VIRAL INFECTIONS ETH ZURICH (CH) 2021-10-21 US disclosed