SCHEMBL23988879

SCHEMBL23988879

CSc1cccc(-c2cnn3cc(-c4ccc(CN5CCCCC5)cc4)cnc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.54
KDR P35968 9/20 0.49
FLT1 P17948 5/20 0.49
FLT4 P35916 4/20 0.49
ACVRL1 P37023 5/20 0.47
BMPR1B O00238 4/20 0.47
BMPR1A P36894 4/20 0.47
ACVR1B P36896 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
BMP4 P12644 2/20 0.47
TGFBR1 P36897 2/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA2 P54646 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
LCK P06239 1/20 0.47
YES1 P07947 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL23988897 0.90 KDR (0.51) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL23989005 0.88 ACVR1 (0.51) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL23988714 0.84 FLT1 (0.68) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL23988925 0.84 ACVR1 (0.46) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL24409783 0.84 ACVR1 (0.55) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL17441819 0.83 ACVR1 (0.52) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL17441887 0.83 ACVR1 (0.59) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL23988901 0.83 KDR (0.48) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL17442070 0.82 ACVR1 (0.60) ACVR1KDRFLT1FLT4ACVRL1
SCHEMBL17442061 0.82 ACVR1 (0.53) 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 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