SCHEMBL24409646

SCHEMBL24409646

NSc1ccc(-c2cnn3cc(-c4ccc(C5(N)CC5)cc4)cnc23)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 15/20 0.65
BMPR1A P36894 8/20 0.65
BMP4 P12644 4/20 0.47
ACVR1B P36896 8/20 0.45
BMPR1B O00238 6/20 0.45
ACVRL1 P37023 6/20 0.45
TGFBR1 P36897 5/20 0.45
TGFBR2 P37173 5/20 0.45
KDR P35968 4/20 0.45
PRKAB1 Q9Y478 4/20 0.45
BMPR2 Q13873 3/20 0.44
ACVR2A P27037 2/20 0.44
ACVR2B Q13705 2/20 0.44
RIPK2 O43353 1/20 0.43

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
SCHEMBL23988915 0.96 ACVR1 (0.70) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL24425291 0.91 ACVR1 (0.57) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL24412126 0.91 ACVR1 (0.57) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL23989010 0.85 ACVR1 (0.50) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL23988690 0.84 KDR (0.55) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL17448643 0.83 ACVR1 (0.64) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL17441838 0.82 ACVR1 (0.93) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL26867458 0.82 ACVR1 (0.65) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL23989019 0.80 ACVR1 (0.69) ACVR1BMPR1ABMP4ACVR1BBMPR1B
SCHEMBL24409653 0.80 ACVR1 (0.70) ACVR1BMPR1ABMP4ACVR1BBMPR1B

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