SCHEMBL24409704

SCHEMBL24409704

C[S+]([O-])c1cccc(-c2cnn3cc(-c4ccc(C(F)(F)CN5CCNCC5)cc4)cnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 15/20 0.48
KDR P35968 6/20 0.48
TGFBR1 P36897 5/20 0.48
PRKAB1 Q9Y478 4/20 0.48
BMPR1B O00238 11/20 0.42
ACVRL1 P37023 11/20 0.42
BMPR1A P36894 9/20 0.42
ACVR1B P36896 9/20 0.42
TGFBR2 P37173 3/20 0.42
BMPR2 Q13873 3/20 0.42
BMP4 P12644 2/20 0.40
RIPK2 O43353 1/20 0.40
ACVR2A P27037 1/20 0.40
ACVR2B Q13705 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
SCHEMBL24409701 0.92 ACVR1 (0.45) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL24409663 0.91 ACVR1 (0.46) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL24409776 0.90 KDR (0.50) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL17442261 0.84 ACVR1 (0.63) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL24409611 0.79 ACVR1 (0.48) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL24409629 0.79 ACVR1 (0.59) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL24409703 0.78 ACVR1 (0.46) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL24409682 0.77 ACVR1 (0.64) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL23988925 0.77 ACVR1 (0.46) ACVR1KDRTGFBR1PRKAB1BMPR1B
SCHEMBL24409783 0.77 ACVR1 (0.55) ACVR1KDRTGFBR1PRKAB1BMPR1B

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-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
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed