SCHEMBL23988869

SCHEMBL23988869

Cc1cnc2c(-c3ccnc4c(C)cccc34)cnn2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 13/20 0.58
▸ BMP4 P12644 5/20 0.48
▸ ACVRL1 P37023 10/20 0.45
▸ BMPR1B O00238 9/20 0.45
▸ BMPR1A P36894 9/20 0.45
▸ ACVR1B P36896 9/20 0.45
▸ KDR P35968 5/20 0.45
▸ TGFBR1 P36897 3/20 0.45
▸ TGFBR2 P37173 3/20 0.45
▸ PRKAB1 Q9Y478 3/20 0.45
▸ BMPR2 Q13873 2/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL23988972 0.85 ACVR1 (0.46) ACVR1BMP4ACVRL1BMPR1BBMPR1A
SCHEMBL23988880 0.78 ACVR1 (0.58) ACVR1BMP4ACVRL1BMPR1BBMPR1A
SCHEMBL23988873 0.75 ACVR1 (0.62) ACVR1BMP4ACVRL1BMPR1BBMPR1A
SCHEMBL22077951 0.75 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL23988890 0.74 ACVR1 (0.61) ACVR1
SCHEMBL23989002 0.74 ACVR1 (0.72) ACVR1BMP4ACVRL1BMPR1BBMPR1A
SCHEMBL23988751 0.73 ACVR1 (0.62) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL23988838 0.73 ACVR1 (0.62) ACVR1BMP4ACVRL1BMPR1BBMPR1A
SCHEMBL23988856 0.72 BMP4 (0.55) ACVR1BMP4ACVRL1BMPR1BBMPR1A
SCHEMBL23988791 0.72 BMP4 (0.67) ACVR1BMP4ACVRL1BMPR1BBMPR1A

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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