SCHEMBL23988892

SCHEMBL23988892

C=C/C(=C\C=C(\C)CCC)c1cnc2c(-c3ccc(SN)c4ccccc34)cnn2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 6/20 0.33
▸ BMPR1A P36894 2/20 0.32
▸ BMP4 P12644 3/20 0.32
▸ BMPR1B O00238 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ ACVR1B P36896 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ PRKAB1 Q9Y478 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
SCHEMBL23988756 0.84 ACVR1 (0.33) ACVR1BMPR1ABMP4BMPR1BKDR
SCHEMBL23988740 0.84 BMP4 (0.50) ACVR1BMPR1ABMP4BMPR1BKDR
SCHEMBL23988755 0.83 ACVR1 (0.33) ACVR1BMPR1ABMP4BMPR1BKDR
SCHEMBL23988734 0.81 ACVRL1 (0.48) ACVR1BMPR1ABMP4BMPR1BKDR
SCHEMBL23988730 0.80 ACVR1 (0.49) ACVR1BMPR1ABMPR1BACVR1BTGFBR1
SCHEMBL23988809 0.79 ACVR1 (0.39) ACVR1BMPR1ABMP4BMPR1BACVR1B
SCHEMBL23988708 0.70 ACVR1 (0.49) ACVR1BMPR1ABMP4BMPR1BKDR
SCHEMBL23988690 0.68 KDR (0.55) ACVR1BMPR1ABMP4BMPR1BKDR
SCHEMBL23989019 0.65 ACVR1 (0.69) ACVR1BMPR1ABMP4BMPR1BKDR
SCHEMBL24409653 0.65 ACVR1 (0.70) ACVR1BMPR1ABMP4BMPR1BKDR

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
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