SCHEMBL23988936

SCHEMBL23988936

Cc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 17/20 0.68
ACVRL1 P37023 16/20 0.68
BMPR1A P36894 13/20 0.68
BMPR1B O00238 13/20 0.68
ACVR1B P36896 12/20 0.68
KDR P35968 5/20 0.67
BMP4 P12644 4/20 0.67
TGFBR1 P36897 4/20 0.59
PRKAB1 Q9Y478 4/20 0.59
TGFBR2 P37173 3/20 0.59
BMPR2 Q13873 2/20 0.59

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
SCHEMBL23988823 0.93 BMP4 (0.69) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL23988777 0.88 ACVRL1 (0.72) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL23989034 0.85 ACVRL1 (0.72) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL12779951 0.85 ACVRL1 (0.78) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL16111478 0.84 ACVRL1 (0.70) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL17531641 0.83 ACVRL1 (0.84) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL16134963 0.81 ACVR1 (1.00) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL16111462 0.81 BMP4 (0.85) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL23989036 0.80 ACVR1 (0.72) ACVR1ACVRL1BMPR1ABMPR1BACVR1B
SCHEMBL29395473 0.80 ACVR1 (1.00) ACVR1ACVRL1BMPR1ABMPR1BACVR1B

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