SCHEMBL8560640

SCHEMBL8560640

c1ccc2c(-n3cnc4cnccc43)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.59
▸ HCAR1 Q9BXC0 1/20 0.50
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ MKNK1 Q9BUB5 3/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP17A1 P05093 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
SCHEMBL2186557 0.83 HCAR1 (0.56) FGFR1HCAR1PI4KAPI4K2BPI4K2A
SCHEMBL30955935 0.83 HCAR1 (0.56) FGFR1HCAR1PI4KAPI4K2BPI4K2A
SCHEMBL6667117 0.80 FGFR1 (0.56) FGFR1HCAR1TGFBR1JAK2JAK3
SCHEMBL22015957 0.78 FGFR1 (0.50) FGFR1TGFBR1JAK2JAK3MKNK1
SCHEMBL29240138 0.77 PI4KA (0.57) FGFR1HCAR1PI4KAPI4K2BPI4K2A
SCHEMBL19320196 0.75 HCAR1 (0.49) FGFR1HCAR1PI4KAPI4K2BPI4K2A
SCHEMBL6664412 0.75 ALDH1A1 (0.50) FGFR1HCAR1MAPK1ALDH1A1MAPT
SCHEMBL10644638 0.74 FGFR1 (1.00) FGFR1MAPK1ALDH1A1MAPTRAB9A
SCHEMBL16035814 0.73 FGFR1 (0.67) FGFR1TGFBR1JAK2JAK3MKNK1
SCHEMBL8561860 0.72 NPC1 (0.39) FGFR1NPC1MAPK1ATMALDH1A1

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
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 — — EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 — — WO disclosed
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