SCHEMBL23988882

SCHEMBL23988882

Cc1ccc(-c2cnc3c(-c4cccc5c(S(N)(=O)=O)cccc45)cnn3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 18/20 0.70
BMPR1A P36894 8/20 0.69
BMPR1B O00238 2/20 0.62
ACVRL1 P37023 2/20 0.62
ACVR2A P27037 1/20 0.62
ACVR1B P36896 1/20 0.62
TGFBR1 P36897 1/20 0.62
TGFBR2 P37173 1/20 0.62
ACVR2B Q13705 1/20 0.62
KDR P35968 2/20 0.53
BMP4 P12644 2/20 0.51

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
SCHEMBL23988759 0.94 ACVR1 (0.79) ACVR1BMPR1ABMPR1BACVRL1ACVR2A
SCHEMBL19110528 0.82 ACVR1 (0.87) ACVR1BMPR1ABMPR1BACVRL1ACVR2A
SCHEMBL17442183 0.82 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVRL1ACVR2A
SCHEMBL17442419 0.82 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVRL1ACVR1B
SCHEMBL24409780 0.82 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVRL1ACVR1B
SCHEMBL23988798 0.82 KDR (0.60) ACVR1BMPR1ABMPR1BACVRL1ACVR1B
SCHEMBL17442465 0.81 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVRL1ACVR2A
SCHEMBL23988758 0.80 ACVR1 (0.57) ACVR1BMPR1ABMPR1BACVRL1ACVR1B
SCHEMBL23988764 0.80 ACVR1 (0.69) ACVR1BMPR1ABMPR1BACVRL1ACVR2A
SCHEMBL19110533 0.80 ACVR1 (0.78) ACVR1BMPR1ABMPR1BACVRL1ACVR2A

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