SCHEMBL31592917

SCHEMBL31592917

Fc1cccc(-c2cnc(Nc3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 8/20 0.55
▸ DGAT1 O75907 5/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ KDR P35968 3/20 0.51
▸ MET P08581 1/20 0.51
▸ KIT P10721 1/20 0.49
▸ DYRK1A Q13627 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ CBFB Q13951 1/20 0.46
▸ CYP11B1 P15538 1/20 0.45
▸ SOAT1 P35610 1/20 0.44

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
SCHEMBL27040042 0.92 DGAT1 (0.64) NPBWR1DGAT1KCNH2KDRKIT
SCHEMBL31592990 0.92 DGAT1 (0.64) NPBWR1DGAT1KCNH2KDRKIT
SCHEMBL27039936 0.89 DGAT1 (0.55) NPBWR1DGAT1KCNH2KDRMET
SCHEMBL31592851 0.89 DGAT1 (0.55) NPBWR1DGAT1KCNH2KDRMET
SCHEMBL31592995 0.89 NPBWR1 (0.51) NPBWR1DGAT1KCNH2KDRMET
SCHEMBL31592895 0.88 DGAT1 (0.56) NPBWR1DGAT1KCNH2KDRKIT
SCHEMBL31592852 0.87 NPBWR1 (0.52) NPBWR1DGAT1KCNH2KDRMET
SCHEMBL31592858 0.86 DGAT1 (0.51) NPBWR1DGAT1KCNH2KDRMET
SCHEMBL31592877 0.85 CBFB (0.62) NPBWR1DGAT1KCNH2KDRKIT
SCHEMBL31592874 0.84 KIT (0.52) NPBWR1DGAT1KCNH2KDRKIT

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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