SCHEMBL30674279

SCHEMBL30674279

O=C(Nc1ccc(C(F)(F)F)cn1)c1cccc2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.71
MAPKAPK2 P49137 1/20 0.71
GAA P10253 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
EGLN1 Q9GZT9 1/20 0.55
PTGES O14684 1/20 0.54
PTGS1 P23219 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
F10 P00742 1/20 0.49
SCN9A Q15858 1/20 0.48
RPS6KA3 P51812 1/20 0.48
DEGS1 O15121 1/20 0.48
MAP3K5 Q99683 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL24172760 1.00 FGFR4 (0.71) FGFR4MAPKAPK2GAATRPV1EGLN1
SCHEMBL3043442 0.84 EGLN1 (0.76) TRPV1EGLN1PTGS1NPC1RAB9A
SCHEMBL18070906 0.84 TRPV1 (0.59) FGFR4MAPKAPK2GAATRPV1PTGES
SCHEMBL3140634 0.79 MAPT (0.67) EGLN1PTGS1NPC1RAB9ACASP3
SCHEMBL29863092 0.79 MEN1 (0.63) GAANPC1RAB9ACASP3SENP8
SCHEMBL31665119 0.77 PTGS1 (0.65) FGFR4MAPKAPK2GAATRPV1PTGES
SCHEMBL25143580 0.77 PTGS1 (0.65) FGFR4MAPKAPK2GAATRPV1PTGES
SCHEMBL28108390 0.76 PARP1 (0.58) EGLN1NPC1RAB9ACASP3SENP8
SCHEMBL1031023 0.75 FGFR4 (0.55) FGFR4MAPKAPK2GAATRPV1EGLN1
SCHEMBL16762090 0.75 TRPV1 (0.58) FGFR4MAPKAPK2GAATRPV1PTGES

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
EP-4306524-A2 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS PureTech LYT, Inc. (US) 2024-01-17 EP disclosed