SCHEMBL24409778

SCHEMBL24409778

CN1CCN(c2ccc(-c3cnc4c(-c5ccc(SN)c6ccccc56)cnn4c3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 10/20 0.70
KDR P35968 5/20 0.70
TGFBR1 P36897 5/20 0.70
PRKAB1 Q9Y478 5/20 0.70
TGFBR2 P37173 4/20 0.70
BMPR2 Q13873 4/20 0.70
ACVR1 Q04771 14/20 0.55
BMPR1B O00238 12/20 0.55
ACVRL1 P37023 12/20 0.55
BMPR1A P36894 10/20 0.55
BMP4 P12644 2/20 0.55
RIPK2 O43353 1/20 0.55
ACVR2A P27037 1/20 0.55
ACVR2B Q13705 1/20 0.55

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
SCHEMBL24425287 0.90 ACVR1 (0.56) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL24412127 0.85 ACVR1B (0.74) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL24412162 0.85 ACVR1 (0.56) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL23988691 0.85 ACVR1B (0.70) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL17448590 0.84 ACVR1B (0.69) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL23988690 0.84 KDR (0.55) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL17448613 0.83 ACVR1 (0.69) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL19660993 0.82 ACVR1B (1.00) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL31060174 0.82 ACVR1B (1.00) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL24409653 0.80 ACVR1 (0.70) ACVR1BKDRTGFBR1PRKAB1TGFBR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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