SCHEMBL29132000

SCHEMBL29132000

Cc1c2ccncc2c(C)c2c1[nH]c1ccc(CO)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.71
PDGFRA P16234 2/20 0.71
FGFR3 P22607 2/20 0.71
RECQL P46063 3/20 0.65
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 2/20 0.65
NR3C1 P04150 2/20 0.65
POLB P06746 2/20 0.65
MAPT P10636 2/20 0.65
RAB9A P51151 2/20 0.65
KMT2A Q03164 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
TLR3 O15455 1/20 0.65
PKM P14618 1/20 0.65
TDP1 Q9NUW8 2/20 0.62
NPC1 O15118 1/20 0.62
GMNN O75496 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62

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
SCHEMBL7148483 0.83 KIT (0.62) KITPDGFRAFGFR3RECQLKDM4E
SCHEMBL564035 0.83 KIT (1.00) KITPDGFRAFGFR3RECQLKDM4E
SCHEMBL31060598 0.83 KIT (1.00) KITPDGFRAFGFR3RECQLKDM4E
SCHEMBL17212473 0.83 KIT (0.76) KITPDGFRAFGFR3RECQLKDM4E
Hydrochloric Acid SCHEMBL8821075 0.82 KIT (0.97) KITPDGFRAFGFR3RECQLKDM4E
Bromide SCHEMBL10413309 0.82 KIT (0.97) KITPDGFRAFGFR3RECQLKDM4E
Hydrochloric Acid SCHEMBL15517783 0.82 KIT (0.97) KITPDGFRAFGFR3RECQLKDM4E
SCHEMBL29289480 0.82 KIT (0.60) KITPDGFRAFGFR3RECQLKDM4E
SCHEMBL3342543 0.81 KIT (0.72) KITPDGFRAFGFR3RECQLKDM4E
SCHEMBL31362096 0.81 KIT (1.00) KITPDGFRAFGFR3RECQLKDM4E

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
CN-117279952-A Methods for treating cancer using subcutaneous administration of anti-PD 1 antibodies 默沙东有限责任公司 2023-12-22 CN disclosed