SCHEMBL23988798

SCHEMBL23988798

Cc1ccc(-c2cnc3c(-c4cccc5ccccc45)cnn3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.60
ACVR1 Q04771 12/20 0.56
BMPR1B O00238 10/20 0.56
ACVRL1 P37023 10/20 0.56
BMPR1A P36894 10/20 0.56
BMP4 P12644 4/20 0.56
ACVR1B P36896 11/20 0.55
TGFBR1 P36897 4/20 0.55
TGFBR2 P37173 4/20 0.55
PRKAB1 Q9Y478 4/20 0.55
BMPR2 Q13873 3/20 0.50

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
SCHEMBL23988922 0.85 KDR (0.54) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL12779951 0.84 ACVRL1 (0.78) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988864 0.84 KDR (0.59) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988808 0.84 KDR (0.58) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988686 0.84 KDR (0.58) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL16743057 0.84 ACVR1 (0.74) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23988753 0.83 KDR (0.55) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL23989024 0.83 ACVR1 (0.69) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL12779920 0.83 BMP4 (0.82) KDRACVR1BMPR1BACVRL1BMPR1A
SCHEMBL12779952 0.83 KDR (0.60) 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