SCHEMBL31592874

SCHEMBL31592874

FC(F)(F)c1ccc2nc(-c3cccc(Nc4ncc(-c5cscn5)cn4)c3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.52
▸ NPBWR1 P48145 6/20 0.50
▸ DGAT1 O75907 4/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ METAP2 P50579 4/20 0.46
▸ METAP1 P53582 3/20 0.46
▸ DYRK1A Q13627 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ CBFB Q13951 1/20 0.44
▸ KDR P35968 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSC P53634 1/20 0.42

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
SCHEMBL31592990 0.86 DGAT1 (0.64) KITNPBWR1DGAT1KCNH2DYRK1A
SCHEMBL27040042 0.86 DGAT1 (0.64) KITNPBWR1DGAT1KCNH2DYRK1A
SCHEMBL31592834 0.86 KDM4E (0.56) METAP2METAP1
SCHEMBL31592852 0.85 NPBWR1 (0.52) KITNPBWR1DGAT1KCNH2DYRK1A
SCHEMBL31592877 0.85 CBFB (0.62) KITNPBWR1DGAT1KCNH2METAP2
SCHEMBL31592933 0.85 METAP1 (0.47) KITMETAP2METAP1CBFBKDR
SCHEMBL31592995 0.84 NPBWR1 (0.51) KITNPBWR1DGAT1KCNH2DYRK1A
SCHEMBL31592917 0.84 NPBWR1 (0.55) KITNPBWR1DGAT1KCNH2DYRK1A
SCHEMBL31592895 0.84 DGAT1 (0.56) KITNPBWR1DGAT1KCNH2DYRK1A
SCHEMBL31592788 0.84 DGAT1 (0.54) KITNPBWR1DGAT1KCNH2DYRK1A

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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