SCHEMBL23988847

SCHEMBL23988847

COc1ccc2nccc(-c3cnn4cc(C)cnc34)c2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 15/20 0.60
▸ BMP4 P12644 5/20 0.60
▸ BMPR1B O00238 3/20 0.60
▸ ACVRL1 P37023 3/20 0.60
▸ KDR P35968 2/20 0.60
▸ BMPR1A P36894 2/20 0.60
▸ TGFBR2 P37173 2/20 0.60
▸ ACVR1B P36896 2/20 0.60
▸ TGFBR1 P36897 1/20 0.60
▸ PRKAB1 Q9Y478 1/20 0.60
▸ ACVR2A P27037 1/20 0.50

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
SCHEMBL23988861 0.91 BMP4 (0.64) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988735 0.87 ACVR1 (0.62) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988873 0.87 ACVR1 (0.62) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988856 0.83 BMP4 (0.55) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988778 0.82 ACVR1 (0.55) ACVR1
SCHEMBL23988880 0.82 ACVR1 (0.58) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988747 0.81 ACVR1 (0.50) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988752 0.81 ACVR1 (0.50) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988838 0.81 ACVR1 (0.62) ACVR1BMP4BMPR1BACVRL1KDR
SCHEMBL23988907 0.81 ACVR1 (0.49) ACVR1BMP4BMPR1BACVRL1KDR

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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