SCHEMBL23988903

SCHEMBL23988903

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.53
BMP4 P12644 4/20 0.52
ACVR1 Q04771 12/20 0.51
BMPR1A P36894 6/20 0.50
ACVR1B P36896 5/20 0.49
TGFBR1 P36897 5/20 0.49
BMPR1B O00238 4/20 0.49
ACVRL1 P37023 4/20 0.49
TGFBR2 P37173 4/20 0.49
PRKAB1 Q9Y478 4/20 0.49
ACVR2A P27037 1/20 0.46
ACVR2B Q13705 1/20 0.46
BMPR2 Q13873 2/20 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
SCHEMBL23988701 0.89 ACVR1 (0.54) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL23988703 0.87 KDR (0.51) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL23989006 0.87 BMP4 (0.50) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL23988794 0.86 KDR (0.54) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL23988867 0.86 KDR (0.54) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL19110492 0.85 ACVR1B (0.56) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL23988784 0.84 KDR (0.52) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL23988686 0.83 KDR (0.58) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL23988758 0.83 ACVR1 (0.57) KDRBMP4ACVR1BMPR1AACVR1B
SCHEMBL17442000 0.82 ACVR1 (0.68) KDRBMP4ACVR1BMPR1AACVR1B

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