SCHEMBL23988771

SCHEMBL23988771

CCCc1ccc(-c2cnc3c(-c4cccc(C(C)O)c4)cnn3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.47
KMT2A Q03164 1/20 0.44
GAK O14976 1/20 0.43
FLT1 P17948 3/20 0.42
FLT4 P35916 2/20 0.42
BMP4 P12644 2/20 0.40
ACVR1 Q04771 4/20 0.40
PRKAB1 Q9Y478 3/20 0.40
BMPR1A P36894 3/20 0.40
TGFBR1 P36897 1/20 0.40
PRKAB2 O43741 1/20 0.40
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
EPHA2 P29317 1/20 0.40
FLT3 P36888 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL17442060 0.87 KDR (0.51) KDRFLT1FLT4BMP4ACVR1
SCHEMBL17442452 0.87 KDR (0.51) KDRFLT1FLT4BMP4ACVR1
SCHEMBL19110527 0.86 KDR (0.54) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988812 0.86 KDR (0.58) KDRKMT2AGAKFLT1FLT4
SCHEMBL17442204 0.86 KDR (0.53) KDRFLT1FLT4BMP4ACVR1
SCHEMBL17442106 0.84 PRKAB1 (0.56) KDRFLT1FLT4BMP4ACVR1
SCHEMBL17442317 0.84 PRKAB1 (0.56) KDRFLT1FLT4BMP4ACVR1
SCHEMBL17442041 0.84 ACVR1 (0.49) KDRFLT1FLT4BMP4ACVR1
SCHEMBL26876161 0.84 KDR (0.51) KDRFLT1FLT4BMP4ACVR1
SCHEMBL17442061 0.84 ACVR1 (0.53) KDRKMT2AFLT1FLT4BMP4

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