SCHEMBL24409643

SCHEMBL24409643

C[S+]([O-])c1cccc(-c2cnn3cc(-c4ccc(CCN5CCCC5)cc4)cnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.50
FLT1 P17948 7/20 0.50
FLT4 P35916 5/20 0.50
ACVR1 Q04771 7/20 0.48
PRKAB2 O43741 5/20 0.48
PRKAG1 P54619 5/20 0.48
PRKAA2 P54646 5/20 0.48
PRKAA1 Q13131 5/20 0.48
PRKAG3 Q9UGI9 5/20 0.48
PRKAG2 Q9UGJ0 5/20 0.48
PRKAB1 Q9Y478 5/20 0.48
BMP4 P12644 4/20 0.48
BMPR1B O00238 3/20 0.48
BMPR1A P36894 3/20 0.48
ACVRL1 P37023 3/20 0.48
ACVR1B P36896 2/20 0.48
LCK P06239 2/20 0.48
SRC P12931 2/20 0.48
EPHA2 P29317 2/20 0.48
RPS6KA1 Q15418 2/20 0.48

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
SCHEMBL24409648 0.99 KDR (0.51) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409634 0.92 PRKAB1 (0.56) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409624 0.90 KDR (0.43) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409786 0.90 KDR (0.50) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409683 0.90 KDR (0.50) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409783 0.90 ACVR1 (0.55) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409705 0.89 KDR (0.42) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409771 0.88 KDR (0.49) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409700 0.87 FLT1 (0.67) KDRFLT1FLT4ACVR1PRKAB2
SCHEMBL24409810 0.87 KDR (0.40) KDRFLT1FLT4ACVR1PRKAB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081212-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2022099166-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022098812-A1 METHODS OF TREATING IRON OVERLOAD KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed