SCHEMBL23988705

SCHEMBL23988705

NSc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 12/20 0.73
BMP4 P12644 6/20 0.72
BMPR1B O00238 6/20 0.69
ACVRL1 P37023 6/20 0.69
BMPR1A P36894 5/20 0.69
ACVR1B P36896 3/20 0.69
KDR P35968 6/20 0.64
FLT1 P17948 5/20 0.64
PRKAB1 Q9Y478 5/20 0.64
PRKAB2 O43741 4/20 0.64
PRKAG1 P54619 4/20 0.64
PRKAA2 P54646 4/20 0.64
PRKAA1 Q13131 4/20 0.64
PRKAG3 Q9UGI9 4/20 0.64
PRKAG2 Q9UGJ0 4/20 0.64
TGFBR1 P36897 2/20 0.64
LCK P06239 2/20 0.64
SRC P12931 2/20 0.64
EPHA2 P29317 2/20 0.64
RPS6KA1 Q15418 2/20 0.64

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
SCHEMBL24409607 0.90 ACVR1 (0.73) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL25472372 0.89 BMP4 (0.69) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL24409620 0.88 ACVR1 (0.58) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL17448650 0.86 BMP4 (0.76) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL17448515 0.85 BMP4 (0.74) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL24425280 0.85 ACVR1 (0.55) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19110516 0.85 ACVR1 (0.72) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL25471472 0.85 ACVR1 (0.72) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19110554 0.85 ACVR1 (0.74) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL24425295 0.85 ACVR1 (0.62) ACVR1BMP4BMPR1BACVRL1BMPR1A

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-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
WO-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed