SCHEMBL23988740

SCHEMBL23988740

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BMP4 P12644 6/20 0.50
▸ ACVR1 Q04771 14/20 0.47
▸ ACVR1B P36896 14/20 0.47
▸ ACVRL1 P37023 12/20 0.47
▸ BMPR1B O00238 11/20 0.47
▸ BMPR1A P36894 10/20 0.47
▸ KDR P35968 5/20 0.47
▸ TGFBR1 P36897 5/20 0.47
▸ PRKAB1 Q9Y478 5/20 0.47
▸ TGFBR2 P37173 4/20 0.47
▸ BMPR2 Q13873 3/20 0.44
▸ RIPK2 O43353 1/20 0.42
▸ ACVR2A P27037 1/20 0.42
▸ ACVR2B Q13705 1/20 0.42

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
SCHEMBL23988734 0.94 ACVRL1 (0.48) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL23988730 0.87 ACVR1 (0.49) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL23988809 0.86 ACVR1 (0.39) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL23988892 0.84 ACVR1 (0.33) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL23988756 0.82 ACVR1 (0.33) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL23988815 0.81 ACVR1 (0.45) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL14671965 0.78 BMP4 (0.54) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL23988707 0.76 ACVR1 (0.56) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL23988820 0.75 ACVR1 (0.41) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL23989033 0.75 ACVR1 (0.41) BMP4ACVR1ACVR1BACVRL1BMPR1B

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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