SCHEMBL23988764

SCHEMBL23988764

Cc1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c(C)c4)cnn3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 17/20 0.69
BMPR1A P36894 7/20 0.69
KDR P35968 3/20 0.58
BMPR1B O00238 1/20 0.49
ACVR2A P27037 1/20 0.49
ACVR1B P36896 1/20 0.49
TGFBR1 P36897 1/20 0.49
ACVRL1 P37023 1/20 0.49
TGFBR2 P37173 1/20 0.49
ACVR2B Q13705 1/20 0.49
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL23988761 0.83 KDR (0.67) ACVR1BMPR1AKDRBMPR1BACVR2A
SCHEMBL24409753 0.83 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVR2AACVR1B
SCHEMBL17441852 0.83 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVR2AACVR1B
SCHEMBL23988759 0.82 ACVR1 (0.79) ACVR1BMPR1AKDRBMPR1BACVR2A
SCHEMBL23988902 0.81 KDR (0.54) ACVR1BMPR1AKDRBMPR1BACVR2A
SCHEMBL23988882 0.80 ACVR1 (0.70) ACVR1BMPR1AKDRBMPR1BACVR2A
SCHEMBL23988765 0.77 KDR (0.68) ACVR1BMPR1AKDRBMPR1BACVRL1
SCHEMBL23988702 0.76 KDR (0.59) ACVR1BMPR1AKDRBMPR1BACVRL1
SCHEMBL7618559 0.75 KDR (0.77) ACVR1BMPR1AKDRBMPR1BTGFBR1
SCHEMBL17448636 0.74 ACVR1 (0.87) ACVR1BMPR1ABMPR1BACVR1BACVRL1

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