SCHEMBL23988807

SCHEMBL23988807

Cc1ccc(-c2cnc3c(-c4cccc5c(C(C)O)cccc45)cnn3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
ACVR1 Q04771 13/20 0.52
BMPR1A P36894 11/20 0.52
ACVRL1 P37023 10/20 0.52
BMPR1B O00238 9/20 0.52
BMP4 P12644 4/20 0.52
ACVR1B P36896 9/20 0.50
TGFBR1 P36897 4/20 0.47
TGFBR2 P37173 4/20 0.47
PRKAB1 Q9Y478 3/20 0.47
BMPR2 Q13873 2/20 0.46
ACVR2A P27037 1/20 0.44
ACVR2B Q13705 1/20 0.44

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
SCHEMBL23988721 0.93 KDR (0.54) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL23988798 0.82 KDR (0.60) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL23988864 0.82 KDR (0.59) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL17442255 0.82 ACVR1 (0.72) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL24409618 0.82 ACVR1 (0.72) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL23988805 0.80 KDR (0.54) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL23988885 0.80 ACVR1 (0.56) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL12779951 0.80 ACVRL1 (0.78) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL23988758 0.79 ACVR1 (0.57) KDRACVR1BMPR1AACVRL1BMPR1B
SCHEMBL23988812 0.79 KDR (0.58) KDRACVR1BMPR1AACVRL1BMPR1B

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