SCHEMBL24312429

SCHEMBL24312429

NCCn1cc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccc2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.49
TGFBR1 P36897 3/20 0.43
PIM1 P11309 3/20 0.41
CREBBP Q92793 1/20 0.38
ALOX5AP P20292 2/20 0.37
KCNH2 Q12809 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
ALK Q9UM73 1/20 0.35
PDK2 Q15119 1/20 0.35
MAPK1 P28482 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
SCHEMBL5199830 0.86 PIM1 (0.50) FEN1TGFBR1PIM1ALOX5APPIM3
SCHEMBL23218015 0.85 TGFBR1 (0.59) FEN1TGFBR1ALOX5APKCNH2KDR
SCHEMBL24311916 0.83 TGFBR1 (0.45) FEN1TGFBR1PIM1ALOX5APKCNH2
SCHEMBL5198271 0.77 TGFBR1 (0.70) FEN1TGFBR1PIM1PDK2
SCHEMBL29361356 0.77 TGFBR1 (0.70) FEN1TGFBR1PIM1PDK2
SCHEMBL24312341 0.76 THRB (0.57) FEN1TGFBR1
SCHEMBL5198295 0.75 TGFBR1 (0.56) FEN1TGFBR1MAP4K4
SCHEMBL23218007 0.75 TGFBR1 (0.54) FEN1TGFBR1
SCHEMBL5199498 0.75 TGFBR1 (0.56) TGFBR1PIM1PIM3PIM2MAPK1
SCHEMBL5199408 0.75 PTGS2 (0.46)

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-2022076905-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed