SCHEMBL23988808

SCHEMBL23988808

Cc1ccc(-c2cnc3c(-c4ccc(Cl)c5ccccc45)cnn3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.58
ACVR1 Q04771 9/20 0.55
BMP4 P12644 5/20 0.55
ACVR1B P36896 7/20 0.54
BMPR1A P36894 6/20 0.54
BMPR1B O00238 6/20 0.54
ACVRL1 P37023 6/20 0.54
TGFBR1 P36897 4/20 0.54
TGFBR2 P37173 4/20 0.54
PRKAB1 Q9Y478 3/20 0.54
BMPR2 Q13873 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACVR2A P27037 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
SCHEMBL23988686 0.85 KDR (0.58) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988798 0.84 KDR (0.60) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988800 0.83 KDR (0.59) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988919 0.83 KDR (0.56) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988696 0.82 KDR (0.55) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988690 0.82 KDR (0.55) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL12779920 0.82 BMP4 (0.82) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988867 0.81 KDR (0.54) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988721 0.81 KDR (0.54) KDRACVR1BMP4ACVR1BBMPR1A
SCHEMBL23988794 0.81 KDR (0.54) KDRACVR1BMP4ACVR1BBMPR1A

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