SCHEMBL23988780

SCHEMBL23988780

N[S+]([O-])c1ccc(-c2cnn3cc(-c4ccc(CN5CCCC5)cc4)cnc23)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 14/20 0.70
ACVRL1 P37023 7/20 0.51
BMPR1B O00238 6/20 0.51
BMPR1A P36894 6/20 0.51
BMP4 P12644 4/20 0.50
ACVR1B P36896 4/20 0.47
TGFBR1 P36897 2/20 0.47
TGFBR2 P37173 2/20 0.47
ACVR2A P27037 1/20 0.47
ACVR2B Q13705 1/20 0.47
KDR P35968 1/20 0.44
BMPR2 Q13873 1/20 0.44
PRKAB1 Q9Y478 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
SCHEMBL24412137 0.90 ACVR1 (0.57) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL25471472 0.85 ACVR1 (0.72) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL17448603 0.84 ACVR1 (0.72) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL24409829 0.84 ACVR1 (0.71) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL19110562 0.83 ACVR1 (0.72) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL17442224 0.82 ACVR1 (1.00) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL24412134 0.82 ACVR1 (0.61) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL17448665 0.82 ACVR1 (0.75) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL19110557 0.81 ACVR1 (0.51) ACVR1ACVRL1BMPR1BBMPR1ABMP4
SCHEMBL25471663 0.81 ACVR1 (0.52) ACVR1ACVRL1BMPR1BBMPR1ABMP4

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-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed