SCHEMBL24409685

SCHEMBL24409685

C[S+]([O-])c1cccc(-c2cnn3cc(-c4ccc(C5CCCNC5)cc4)cnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 11/20 0.48
BMPR1A P36894 5/20 0.48
BMPR1B O00238 3/20 0.48
ACVR1B P36896 3/20 0.48
ACVRL1 P37023 3/20 0.48
KDR P35968 5/20 0.44
TGFBR1 P36897 2/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CHEK1 O14757 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
KMT2A Q03164 1/20 0.39
GAK O14976 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
SCHEMBL24409706 0.95 ACVR1 (0.53) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409629 0.90 ACVR1 (0.59) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409645 0.84 ACVR1 (0.44) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17442280 0.83 ACVR1 (0.47) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17441883 0.83 ACVR1 (0.58) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409703 0.80 ACVR1 (0.46) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409601 0.80 ACVR1 (0.57) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409611 0.79 ACVR1 (0.48) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17441658 0.79 ACVR1 (0.59) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17442202 0.79 ACVR1 (0.52) ACVR1BMPR1ABMPR1BACVR1BACVRL1

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-2022098821-A1 METHODS OF TREATING LYMPHOPENIA 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