SCHEMBL24409662

SCHEMBL24409662

c1ccc2c(-c3ccn4cc(-c5ccc(CN6CCCCC6)cc5)cnc34)ccnc2c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 7/20 0.74
ACVR1 Q04771 13/20 0.49
ACVRL1 P37023 11/20 0.49
BMPR1B O00238 10/20 0.49
BMPR1A P36894 8/20 0.48
ACVR1B P36896 9/20 0.47
KDR P35968 5/20 0.45
TGFBR1 P36897 5/20 0.45
PRKAB1 Q9Y478 5/20 0.45
TGFBR2 P37173 4/20 0.45
BMPR2 Q13873 3/20 0.45
RIPK2 O43353 1/20 0.44
ACVR2A P27037 1/20 0.44
ACVR2B Q13705 1/20 0.44

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
SCHEMBL2059686 0.85 BMP4 (1.00) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL12779932 0.80 BMP4 (0.62) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL2059674 0.80 BMP4 (0.68) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL2059669 0.77 BMP4 (0.70) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL24787719 0.73 BMP4 (0.78) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL11953448 0.70 BMP4 (1.00) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17817805 0.69 ACVR1B (0.83) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL29389388 0.69 ACVR1B (0.83) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL23989025 0.69 ACVR1 (0.75) BMP4ACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17448603 0.68 ACVR1 (0.72) BMP4ACVR1ACVRL1BMPR1BBMPR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022099166-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022098812-A1 METHODS OF TREATING IRON OVERLOAD KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed