SCHEMBL24409703

SCHEMBL24409703

C[S+]([O-])c1cccc(-c2cnn3cc(-c4ccc(CC5CCNCC5)cc4)cnc23)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 15/20 0.46
KDR P35968 5/20 0.46
TGFBR1 P36897 3/20 0.46
PRKAB1 Q9Y478 2/20 0.46
BMPR1A P36894 9/20 0.46
BMPR1B O00238 7/20 0.44
ACVRL1 P37023 7/20 0.44
ACVR1B P36896 3/20 0.44
TGFBR2 P37173 1/20 0.40
BMPR2 Q13873 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL24409629 0.86 ACVR1 (0.59) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL23988711 0.85 ACVR1 (0.47) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL17448637 0.84 ACVR1 (0.61) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL24409706 0.83 ACVR1 (0.53) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL17448567 0.82 ACVR1 (0.46) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL24409611 0.81 ACVR1 (0.48) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL24409685 0.80 ACVR1 (0.48) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL24409783 0.79 ACVR1 (0.55) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL24409645 0.79 ACVR1 (0.44) ACVR1KDRTGFBR1PRKAB1BMPR1A
SCHEMBL24409624 0.78 KDR (0.43) ACVR1KDRTGFBR1PRKAB1BMPR1A

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 4 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-2022098812-A1 METHODS OF TREATING IRON OVERLOAD KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
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