SCHEMBL31592960

SCHEMBL31592960

FC(F)(F)c1ccc2nc(-c3cccc(Nc4ccc(-c5ccccc5)nn4)c3)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 8/20 0.61
▸ DGAT1 O75907 5/20 0.58
▸ KCNH2 Q12809 5/20 0.58
▸ CBFB Q13951 1/20 0.48
▸ KIT P10721 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ SOAT1 P35610 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ COMT P21964 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL27040749 1.00 NPBWR1 (0.61) NPBWR1DGAT1KCNH2CBFBKIT
SCHEMBL31592976 0.90 METAP2 (0.48) NPBWR1DGAT1KCNH2KDRTP53
SCHEMBL31592825 0.90 CBFB (0.60) NPBWR1DGAT1KCNH2CBFBKIT
SCHEMBL31592940 0.89 NPBWR1 (0.52) NPBWR1DGAT1KCNH2CBFBKIT
SCHEMBL31592892 0.86 NPBWR1 (0.48) NPBWR1DGAT1KCNH2CBFBKIT
SCHEMBL31592786 0.85 RUNX1 (0.51) NPBWR1DGAT1CBFBKITTP53
SCHEMBL27039905 0.85 RUNX1 (0.51) NPBWR1DGAT1CBFBKITTP53
SCHEMBL31592951 0.85 MMP2 (0.55) TP53MEN1NPC1ALDH1A1RAB9A
SCHEMBL27040119 0.85 MMP2 (0.55) TP53MEN1NPC1ALDH1A1RAB9A
SCHEMBL31593020 0.85 DGAT1 (0.66) NPBWR1DGAT1KCNH2CBFBKDR

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-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
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