SCHEMBL24409776

SCHEMBL24409776

C[S+]([O-])c1cccc(-c2cnn3cc(-c4ccc(C(F)(F)CN5CCOCC5)cc4)cnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.50
PRKAB1 Q9Y478 13/20 0.50
PRKAB2 O43741 9/20 0.50
PRKAG1 P54619 9/20 0.50
PRKAA2 P54646 9/20 0.50
PRKAA1 Q13131 9/20 0.50
PRKAG3 Q9UGI9 9/20 0.50
PRKAG2 Q9UGJ0 9/20 0.50
FLT1 P17948 7/20 0.50
ACVR1 Q04771 4/20 0.50
FLT4 P35916 3/20 0.50
LCK P06239 5/20 0.47
SRC P12931 5/20 0.47
EPHA2 P29317 5/20 0.47
RPS6KA1 Q15418 5/20 0.47
MKNK1 Q9BUB5 5/20 0.47
FLT3 P36888 3/20 0.47
BMP4 P12644 1/20 0.45
TGFBR1 P36897 4/20 0.42
ACVR1B P36896 2/20 0.42

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
SCHEMBL24409701 0.92 ACVR1 (0.45) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL24409663 0.91 ACVR1 (0.46) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL24409704 0.90 ACVR1 (0.48) KDRPRKAB1ACVR1BMP4TGFBR1
SCHEMBL24409634 0.84 PRKAB1 (0.56) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL17442062 0.84 ACVR1 (0.51) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL24409682 0.77 ACVR1 (0.64) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL23988925 0.77 ACVR1 (0.46) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL24409783 0.77 ACVR1 (0.55) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL24409643 0.76 KDR (0.50) KDRPRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL17442133 0.76 ACVR1 (0.54) KDRPRKAB1PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022099166-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed