SCHEMBL23988702

SCHEMBL23988702

Cc1ccc(-c2cnc3c(-c4ccc(C)c([S+](N)[O-])c4)cnn3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.59
FLT1 P17948 4/20 0.47
FLT4 P35916 4/20 0.47
BMP4 P12644 1/20 0.45
BMPR1A P36894 2/20 0.43
ACVR1 Q04771 2/20 0.43
BMPR1B O00238 1/20 0.43
ACVRL1 P37023 1/20 0.43
TGFBR2 P37173 1/20 0.43
BMPR2 Q13873 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
GAK O14976 1/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL24409677 0.84 ACVR1 (0.64) KDRBMP4BMPR1AACVR1BMPR1B
SCHEMBL23988764 0.76 ACVR1 (0.69) KDRFLT1FLT4BMPR1AACVR1
SCHEMBL7618559 0.76 KDR (0.77) KDRFLT1FLT4BMP4BMPR1A
SCHEMBL7618989 0.75 KDR (1.00) KDRFLT1FLT4BMP4BMPR1A
SCHEMBL23988761 0.75 KDR (0.67) KDRFLT1FLT4BMP4BMPR1A
SCHEMBL23988803 0.74 KDR (0.59) KDRFLT1FLT4BMP4BMPR1A
SCHEMBL23988765 0.73 KDR (0.68) KDRFLT1FLT4BMP4BMPR1A
SCHEMBL23988902 0.73 KDR (0.54) KDRFLT1FLT4BMPR1AACVR1
SCHEMBL23988994 0.72 KDR (0.67) KDRFLT1FLT4BMP4BMPR1A
SCHEMBL12779953 0.72 KDR (0.62) KDRFLT1FLT4BMP4BMPR1A

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