SCHEMBL24409653

SCHEMBL24409653

CC(C)(N)c1ccc(-c2cnc3c(-c4ccc(SN)c5ccccc45)cnn3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 15/20 0.70
BMPR1A P36894 6/20 0.51
BMP4 P12644 4/20 0.48
BMPR1B O00238 4/20 0.48
ACVRL1 P37023 4/20 0.48
ACVR1B P36896 4/20 0.48
KDR P35968 4/20 0.48
TGFBR1 P36897 3/20 0.48
TGFBR2 P37173 3/20 0.48
PRKAB1 Q9Y478 2/20 0.48
ACVR2A P27037 1/20 0.47
ACVR2B Q13705 1/20 0.47
BMPR2 Q13873 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
SCHEMBL23988690 0.87 KDR (0.55) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL23989019 0.83 ACVR1 (0.69) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL23988708 0.82 ACVR1 (0.49) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL17442183 0.82 ACVR1 (1.00) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL17448671 0.82 ACVR1 (0.69) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL24409646 0.80 ACVR1 (0.65) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL24409778 0.80 ACVR1B (0.70) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL24409829 0.80 ACVR1 (0.71) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL24409614 0.80 ACVR1 (0.52) ACVR1BMPR1ABMP4BMPR1BACVRL1
SCHEMBL23988915 0.79 ACVR1 (0.70) ACVR1BMPR1ABMP4BMPR1BACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081212-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed