SCHEMBL27039936

SCHEMBL27039936

Fc1cccc(-c2ccc(Nc3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.55
▸ KCNH2 Q12809 6/20 0.55
▸ NPBWR1 P48145 8/20 0.54
▸ KDR P35968 3/20 0.50
▸ MET P08581 1/20 0.50
▸ KIT P10721 1/20 0.47
▸ SOAT1 P35610 3/20 0.46

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
SCHEMBL31592851 1.00 DGAT1 (0.55) DGAT1KCNH2NPBWR1KDRMET
SCHEMBL31593020 0.92 DGAT1 (0.66) DGAT1KCNH2NPBWR1KDRSOAT1
SCHEMBL31592941 0.89 DGAT1 (0.54) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592917 0.89 NPBWR1 (0.55) DGAT1KCNH2NPBWR1KDRMET
SCHEMBL31593053 0.87 CBFB (0.60) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31593000 0.85 DGAT1 (0.52) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592791 0.85 DGAT1 (0.60) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL27040042 0.81 DGAT1 (0.64) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592990 0.81 DGAT1 (0.64) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592861 0.81 DGAT1 (0.53) DGAT1KCNH2NPBWR1KDRMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 — — WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 — — WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 — — WO disclosed
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