SCHEMBL23988784

SCHEMBL23988784

Cc1ccc(-c2cnc3c(-c4ccc(C(=O)N(C)C)c5ccccc45)cnn3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
BMP4 P12644 4/20 0.51
ACVR1 Q04771 14/20 0.50
BMPR1A P36894 8/20 0.49
BMPR1B O00238 5/20 0.48
ACVRL1 P37023 5/20 0.48
TGFBR1 P36897 4/20 0.48
ACVR1B P36896 4/20 0.48
PRKAB1 Q9Y478 3/20 0.48
TGFBR2 P37173 3/20 0.48
ACVR2A P27037 1/20 0.45
ACVR2B Q13705 1/20 0.45
BMPR2 Q13873 1/20 0.45

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
SCHEMBL23988982 0.94 KDR (0.52) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL23988794 0.89 KDR (0.54) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL23988701 0.88 ACVR1 (0.54) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL19110467 0.86 ACVR1B (0.56) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL23988789 0.85 ACVR1 (0.51) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL23988867 0.85 KDR (0.54) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL23988903 0.84 KDR (0.53) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL17442107 0.84 ACVR1 (0.66) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL23988885 0.83 ACVR1 (0.56) KDRBMP4ACVR1BMPR1ABMPR1B
SCHEMBL23988805 0.83 KDR (0.54) KDRBMP4ACVR1BMPR1ABMPR1B

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