SCHEMBL23988815

SCHEMBL23988815

C=C/C(=C\C=C(/CCC)OCCN(CCC)CCCC)c1cnc2c(-c3ccnc4ccccc34)cnn2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 13/20 0.45
▸ KDR P35968 6/20 0.45
▸ TGFBR1 P36897 5/20 0.45
▸ PRKAB1 Q9Y478 5/20 0.45
▸ BMP4 P12644 7/20 0.40
▸ ACVR1B P36896 10/20 0.40
▸ ACVRL1 P37023 10/20 0.40
▸ BMPR1B O00238 9/20 0.40
▸ BMPR1A P36894 6/20 0.40
▸ TGFBR2 P37173 3/20 0.40
▸ BMPR2 Q13873 2/20 0.36

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
SCHEMBL23988820 0.95 ACVR1 (0.41) ACVR1KDRTGFBR1PRKAB1BMP4
SCHEMBL23989033 0.93 ACVR1 (0.41) ACVR1KDRTGFBR1PRKAB1BMP4
SCHEMBL23988740 0.81 BMP4 (0.50) ACVR1KDRTGFBR1PRKAB1BMP4
SCHEMBL23988707 0.79 ACVR1 (0.56) ACVR1KDRTGFBR1PRKAB1BMP4
SCHEMBL23988908 0.76 ACVR1 (0.40) ACVR1KDRTGFBR1PRKAB1
SCHEMBL23988734 0.75 ACVRL1 (0.48) ACVR1KDRTGFBR1PRKAB1BMP4
SCHEMBL23988730 0.69 ACVR1 (0.49) ACVR1TGFBR1ACVR1BACVRL1BMPR1B
SCHEMBL16112836 0.69 BMP4 (0.56) ACVR1KDRTGFBR1PRKAB1BMP4
SCHEMBL23988809 0.69 ACVR1 (0.39) ACVR1BMP4ACVR1BACVRL1BMPR1B
SCHEMBL14671965 0.68 BMP4 (0.54) ACVR1KDRTGFBR1PRKAB1BMP4

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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