SCHEMBL23988765

SCHEMBL23988765

Cc1ccc(-c2cnc3c(-c4ccc(S(C)(=O)=O)cc4)cnn3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.68
ACVR1 Q04771 3/20 0.65
FLT1 P17948 3/20 0.55
FLT4 P35916 3/20 0.55
BMP4 P12644 1/20 0.51
MAOB P27338 1/20 0.51
PTGS2 P35354 3/20 0.47
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
ACVRL1 P37023 1/20 0.46
TGFBR2 P37173 1/20 0.46
BMPR2 Q13873 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
GAK O14976 1/20 0.46
PTGS1 P23219 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL23988761 0.89 KDR (0.67) KDRACVR1FLT1FLT4BMP4
SCHEMBL7618559 0.82 KDR (0.77) KDRACVR1FLT1FLT4BMP4
SCHEMBL7618989 0.81 KDR (1.00) KDRACVR1FLT1FLT4BMP4
SCHEMBL17442156 0.79 ACVR1 (1.00) KDRACVR1BMPR1BBMPR1AACVRL1
SCHEMBL24409675 0.79 ACVR1 (1.00) KDRACVR1BMPR1BBMPR1AACVRL1
SCHEMBL23988902 0.79 KDR (0.54) KDRACVR1FLT1FLT4BMPR1B
SCHEMBL23988764 0.77 ACVR1 (0.69) KDRACVR1FLT1FLT4BMPR1B
SCHEMBL23988994 0.76 KDR (0.67) KDRACVR1FLT1FLT4BMP4
SCHEMBL7613010 0.75 KDR (0.76) KDRFLT1FLT4BMP4
SCHEMBL23988891 0.75 KDR (0.65) KDRACVR1FLT1FLT4BMP4

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