SCHEMBL23988864

SCHEMBL23988864

Cc1ccc(-c2cnc3c(-c4cccc5c(CO)cccc45)cnn3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.59
ACVR1 Q04771 12/20 0.56
BMPR1B O00238 9/20 0.56
ACVRL1 P37023 9/20 0.56
BMPR1A P36894 9/20 0.56
ACVR1B P36896 8/20 0.56
BMP4 P12644 4/20 0.53
TGFBR1 P36897 4/20 0.49
PRKAB1 Q9Y478 4/20 0.49
TGFBR2 P37173 3/20 0.49
BMPR2 Q13873 2/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47

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
SCHEMBL23988800 0.93 KDR (0.59) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23989002 0.88 ACVR1 (0.72) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988798 0.84 KDR (0.60) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988696 0.83 KDR (0.55) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988885 0.82 ACVR1 (0.56) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988807 0.82 KDR (0.54) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988805 0.82 KDR (0.54) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL12779951 0.81 ACVRL1 (0.78) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988758 0.81 ACVR1 (0.57) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL17442355 0.81 ACVR1 (0.74) KDRACVR1BMPR1BACVRL1BMPR1A

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