SCHEMBL24409783

SCHEMBL24409783

C[S+]([O-])c1cccc(-c2cnn3cc(-c4ccc(CN5CCCCC5)cc4)cnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.55
KDR P35968 8/20 0.49
FLT1 P17948 4/20 0.49
FLT4 P35916 3/20 0.49
ACVRL1 P37023 5/20 0.47
BMPR1B O00238 4/20 0.47
BMPR1A P36894 4/20 0.47
ACVR1B P36896 3/20 0.46
BMP4 P12644 2/20 0.46
TGFBR1 P36897 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
PRKAB2 O43741 1/20 0.46
LCK P06239 1/20 0.46
YES1 P07947 1/20 0.46
THRB P10828 1/20 0.46
SRC P12931 1/20 0.46
EIF2AK2 P19525 1/20 0.46
EPHA2 P29317 1/20 0.46
TGFBR2 P37173 1/20 0.46
PRKAG1 P54619 1/20 0.46

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 0.91 KDR (0.51) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409643 0.90 KDR (0.50) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409702 0.88 ACVR1 (0.51) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409628 0.85 FLT1 (0.69) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409663 0.85 ACVR1 (0.46) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409701 0.84 ACVR1 (0.45) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409700 0.84 FLT1 (0.67) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409654 0.84 KDR (0.51) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL23988879 0.84 ACVR1 (0.54) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409682 0.83 ACVR1 (0.64) ACVR1KDRFLT1FLT4ACVRL1

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-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