SCHEMBL23728537

SCHEMBL23728537

C=Cc1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
FGFR4 P22455 1/20 0.35
DHODH Q02127 1/20 0.35
TYK2 P29597 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
STING1 Q86WV6 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HSD11B1 P28845 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL28650156 0.86 FGFR4 (0.44) TGFBR1KDM4EGAATSHRSMN1; SMN2
SCHEMBL23728493 0.81 TGFBR1 (0.48) TGFBR1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL461457 0.77 TGFBR1 (0.42) TGFBR1KDM4ESMN1; SMN2L3MBTL1CAMKK1
SCHEMBL461050 0.76 FLT3 (0.44) TGFBR1KDM4ESMN1; SMN2L3MBTL1DHODH
SCHEMBL359281 0.76 TYK2 (0.53) TGFBR1KDM4EL3MBTL1TYK2IRAK4
SCHEMBL405711 0.76 JAK2 (0.48) TGFBR1TYK2
SCHEMBL23744412 0.73 JAK2 (0.41) TGFBR1L3MBTL1CAMKK1CAMKK2IRAK4
SCHEMBL16935961 0.73 NTRK1 (0.38) TGFBR1STING1
SCHEMBL16935963 0.73 NTRK1 (0.38) TGFBR1STING1
SCHEMBL23728447 0.72 KDM4E (0.49) TGFBR1KDM4EL3MBTL1CAMKK1CAMKK2

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-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed