SCHEMBL23988823

SCHEMBL23988823

Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 7/20 0.69
ACVR1B P36896 14/20 0.68
ACVR1 Q04771 14/20 0.68
ACVRL1 P37023 13/20 0.68
BMPR1A P36894 12/20 0.68
BMPR1B O00238 11/20 0.66
KDR P35968 6/20 0.66
TGFBR1 P36897 5/20 0.66
PRKAB1 Q9Y478 5/20 0.66
TGFBR2 P37173 4/20 0.66
BMPR2 Q13873 3/20 0.61
RIPK2 O43353 1/20 0.58
ACVR2A P27037 1/20 0.58
ACVR2B Q13705 1/20 0.58

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
SCHEMBL23988936 0.93 ACVR1 (0.68) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL23989036 0.88 ACVR1 (0.72) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL23988942 0.85 ACVR1B (0.71) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL12779920 0.85 BMP4 (0.82) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL17531640 0.82 ACVR1B (0.83) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL12779978 0.82 BMP4 (0.82) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL11953449 0.82 BMP4 (1.00) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL16111550 0.81 ACVR1 (1.00) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL23988777 0.80 ACVRL1 (0.72) BMP4ACVR1BACVR1ACVRL1BMPR1A
SCHEMBL17531593 0.80 BMP4 (0.82) BMP4ACVR1BACVR1ACVRL1BMPR1A

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