SCHEMBL23988734

SCHEMBL23988734

C=C/C(=C\C=C(\C)CCC)c1cnc2c(-c3cccc4ncccc34)cnn2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 17/20 0.48
▸ ACVR1 Q04771 17/20 0.48
▸ BMPR1B O00238 15/20 0.48
▸ BMPR1A P36894 15/20 0.48
▸ BMP4 P12644 5/20 0.48
▸ KDR P35968 3/20 0.48
▸ ACVR1B P36896 6/20 0.43
▸ TGFBR1 P36897 2/20 0.43
▸ TGFBR2 P37173 2/20 0.43
▸ PRKAB1 Q9Y478 2/20 0.43
▸ BMPR2 Q13873 1/20 0.43

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
SCHEMBL23988740 0.94 BMP4 (0.50) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL23988730 0.84 ACVR1 (0.49) ACVRL1ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL23988809 0.83 ACVR1 (0.39) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL23988707 0.81 ACVR1 (0.56) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL23988892 0.81 ACVR1 (0.33) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL23988820 0.81 ACVR1 (0.41) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL23989033 0.80 ACVR1 (0.41) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL23988756 0.80 ACVR1 (0.33) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL23988815 0.75 ACVR1 (0.45) ACVRL1ACVR1BMPR1BBMPR1ABMP4
SCHEMBL14671965 0.72 BMP4 (0.54) ACVRL1ACVR1BMPR1BBMPR1ABMP4

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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