SCHEMBL23988756

SCHEMBL23988756

C=C/C(=C\C=C(\C)CCC)c1cnc2c(-c3ccc([S+](N)[O-])c4ccccc34)cnn2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 13/20 0.33
▸ BMPR1A P36894 5/20 0.33
▸ BMP4 P12644 3/20 0.33
▸ BMPR1B O00238 3/20 0.32
▸ ACVR1B P36896 3/20 0.32
▸ ACVRL1 P37023 3/20 0.32
▸ TGFBR1 P36897 3/20 0.32
▸ TGFBR2 P37173 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ PRKAB1 Q9Y478 2/20 0.32
▸ ACVR2A P27037 1/20 0.31
▸ ACVR2B Q13705 1/20 0.31

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
SCHEMBL23988908 0.85 ACVR1 (0.40) ACVR1TGFBR1KDRPRKAB1
SCHEMBL23988892 0.84 ACVR1 (0.33) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL23988740 0.82 BMP4 (0.50) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL23988899 0.81 ACVR1 (0.44) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL23988734 0.80 ACVRL1 (0.48) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL23988730 0.79 ACVR1 (0.49) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL23988809 0.78 ACVR1 (0.39) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL23988755 0.69 ACVR1 (0.33) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL17448671 0.67 ACVR1 (0.69) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL19110557 0.66 ACVR1 (0.51) ACVR1BMPR1ABMP4BMPR1BACVR1B

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
Send feedback