SCHEMBL31592895

SCHEMBL31592895

FC(F)(F)c1ccc2nc(-c3cccc(Nc4ncc(-c5ncccn5)cn4)c3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.56
▸ KCNH2 Q12809 4/20 0.56
▸ NPBWR1 P48145 8/20 0.55
▸ DYRK1A Q13627 1/20 0.54
▸ DYRK1B Q9Y463 1/20 0.54
▸ KIT P10721 1/20 0.51
▸ CBFB Q13951 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ 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 0.90 DGAT1 (0.64) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL31592990 0.90 DGAT1 (0.64) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL31592877 0.89 CBFB (0.62) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL31592941 0.88 DGAT1 (0.54) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL31592917 0.88 NPBWR1 (0.55) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL31592836 0.88 DGAT1 (0.58) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL31592966 0.88 CYP11B1 (0.57) KITCBFBKDR
SCHEMBL31592788 0.86 DGAT1 (0.54) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL30726482 0.86 NPBWR1 (0.57) DGAT1KCNH2NPBWR1DYRK1ADYRK1B
SCHEMBL31592852 0.85 NPBWR1 (0.52) DGAT1KCNH2NPBWR1DYRK1ADYRK1B

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
Send feedback