SCHEMBL23988822

SCHEMBL23988822

Cc1ccc(-c2cnc3c(-c4cc(C)nc5ccccc45)cnn3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 17/20 0.72
BMPR1B O00238 6/20 0.72
BMPR1A P36894 6/20 0.72
ACVR1B P36896 6/20 0.72
ACVRL1 P37023 5/20 0.72
BMP4 P12644 3/20 0.61
KDR P35968 2/20 0.56
TGFBR1 P36897 1/20 0.56
TGFBR2 P37173 1/20 0.56
PRKAB1 Q9Y478 1/20 0.56

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
SCHEMBL23989017 0.89 BMP4 (0.60) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL23988918 0.89 ACVR1 (0.69) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL23988675 0.87 ACVR1 (0.67) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL23989024 0.86 ACVR1 (0.69) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL17531600 0.86 ACVR1 (0.83) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL17531609 0.85 ACVR1 (0.83) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL26939150 0.85 ACVR1 (0.81) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL16112531 0.84 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL12779920 0.84 BMP4 (0.82) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL16134960 0.83 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BACVRL1

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

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