SCHEMBL23988933

SCHEMBL23988933

CCC(F)(F)c1ccc(-c2cnc3c(-c4cccc(C(C)O)c4)cnn3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.45
PTPN5 P54829 1/20 0.42
KMT2A Q03164 1/20 0.42
GAK O14976 1/20 0.41
FLT1 P17948 3/20 0.40
FLT4 P35916 2/20 0.40
ACVR1 Q04771 3/20 0.39
BMP4 P12644 1/20 0.39
BMPR1A P36894 1/20 0.39
ULK1 O75385 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
STK17A Q9UEE5 1/20 0.38
PRKAB1 Q9Y478 2/20 0.38
TGFBR1 P36897 1/20 0.38
PRKAB2 O43741 1/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
EPHA2 P29317 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL17441954 0.87 KDR (0.47) KDRFLT1FLT4ACVR1BMP4
SCHEMBL19110527 0.84 KDR (0.54) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988812 0.84 KDR (0.58) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988771 0.83 KDR (0.47) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988930 0.83 KDR (0.47) KDRKMT2AGAKFLT1FLT4
SCHEMBL17442233 0.82 ACVR1 (0.55) KDRKMT2AGAKFLT1FLT4
SCHEMBL19110507 0.81 ACVR1 (0.53) KDRKMT2AGAKFLT1FLT4
SCHEMBL19110530 0.78 KDR (0.46) KDRKMT2AGAKFLT1FLT4
SCHEMBL17442061 0.78 ACVR1 (0.53) KDRKMT2AFLT1FLT4ACVR1
SCHEMBL17442121 0.78 PDE2A (0.48) KDRKMT2AGAKFLT1FLT4

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-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed