SCHEMBL23988769

SCHEMBL23988769

CSc1cccc(-c2cnn3cc(-c4ccc(CCN5CCC(O)C5)cc4)cnc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.41
FLT1 P17948 4/20 0.41
FLT4 P35916 3/20 0.41
PRKAB1 Q9Y478 6/20 0.40
PRKAB2 O43741 5/20 0.40
PRKAG1 P54619 5/20 0.40
PRKAA2 P54646 5/20 0.40
PRKAA1 Q13131 5/20 0.40
PRKAG3 Q9UGI9 5/20 0.40
PRKAG2 Q9UGJ0 5/20 0.40
ACVR1 Q04771 3/20 0.40
SRC P12931 2/20 0.40
BMP4 P12644 2/20 0.40
LCK P06239 1/20 0.40
EPHA2 P29317 1/20 0.40
FLT3 P36888 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
AVPR1B P47901 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL23988897 0.87 KDR (0.51) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL26867392 0.87 AVPR1B (0.42) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL24409810 0.86 KDR (0.40) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL17441669 0.86 AVPR1B (0.42) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL17442277 0.86 AVPR1B (0.42) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL17442353 0.85 ACVR1 (0.51) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL26867402 0.82 AVPR1B (0.44) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL26867406 0.81 KDR (0.43) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL24409705 0.81 KDR (0.42) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL17442159 0.81 AVPR1B (0.44) KDRFLT1FLT4PRKAB1PRKAB2

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