SCHEMBL23988696

SCHEMBL23988696

Cc1ccc(-c2cnc3c(-c4ccc(CN)c5ccccc45)cnn3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.55
ACVR1 Q04771 14/20 0.53
BMP4 P12644 4/20 0.52
BMPR1A P36894 7/20 0.52
BMPR1B O00238 5/20 0.51
ACVRL1 P37023 5/20 0.51
ACVR1B P36896 4/20 0.51
TGFBR1 P36897 4/20 0.51
TGFBR2 P37173 3/20 0.51
PRKAB1 Q9Y478 3/20 0.51
ACVR2A P27037 1/20 0.47
ACVR2B Q13705 1/20 0.47
BMPR2 Q13873 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 0.90 KDR (0.59) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988686 0.85 KDR (0.58) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988806 0.84 ACVR1 (0.71) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988691 0.84 ACVR1B (0.70) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988864 0.83 KDR (0.59) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988808 0.82 KDR (0.58) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988916 0.82 ACVR1 (0.56) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988690 0.82 KDR (0.55) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL17442417 0.81 ACVR1 (0.72) KDRACVR1BMP4BMPR1ABMPR1B
SCHEMBL23988798 0.81 KDR (0.60) KDRACVR1BMP4BMPR1ABMPR1B

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