SCHEMBL24409671

SCHEMBL24409671

CC1CNCC(C)N1c1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 20/20 1.00
ACVRL1 P37023 19/20 1.00
BMPR1A P36894 16/20 1.00
ACVR1B P36896 13/20 1.00
BMPR1B O00238 17/20 0.88
KDR P35968 2/20 0.61
TGFBR1 P36897 1/20 0.61
TGFBR2 P37173 1/20 0.61
BMPR2 Q13873 1/20 0.61
PRKAB1 Q9Y478 1/20 0.61
BMP4 P12644 1/20 0.60

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
SCHEMBL16135065 1.00 ACVR1 (1.00) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16134982 0.94 ACVR1 (1.00) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL24409667 0.94 ACVR1 (1.00) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL17531625 0.90 ACVRL1 (0.82) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL19627063 0.90 ACVR1 (1.00) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16111725 0.85 ACVRL1 (0.74) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL17531623 0.83 ACVR1B (0.81) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL24409711 0.83 ACVR1 (1.00) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16112502 0.83 ACVR1 (1.00) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16112127 0.82 ACVR1 (1.00) ACVR1ACVRL1BMPR1AACVR1BBMPR1B

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