SCHEMBL23218013

SCHEMBL23218013

O=C(O)NCCn1cc(-c2cc(Br)ccc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TGFBR1 P36897 1/20 0.39
FFAR1 O14842 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ABL1 P00519 1/20 0.35
FEN1 P39748 1/20 0.34
KCNH2 Q12809 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL26598622 0.77 HCRTR1 (0.39) PDK2HCRTR1HCRTR2FFAR1FEN1
SCHEMBL15327008 0.76 HCRTR1 (0.46) PDK2HCRTR1HCRTR2NAMPT
SCHEMBL20539449 0.75 PKM (0.46)
SCHEMBL15924834 0.74 CREBBP (0.49) PDK2
SCHEMBL15327002 0.72 HCRTR1 (0.63) PDK2HCRTR1HCRTR2NAMPT
SCHEMBL3848418 0.72 PDK2 (0.47) PDK2FFAR1FEN1
SCHEMBL16876002 0.70 HSD17B10 (0.49) NAMPT
SCHEMBL25941071 0.69 TGFBR1 (0.55) PDK2TGFBR1FFAR1FEN1
SCHEMBL27091168 0.68 MAPK1 (0.47)
SCHEMBL16703343 0.68 HTR6 (0.44) PDK2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed