SCHEMBL23988901

SCHEMBL23988901

CCCc1ccc(-c2cnc3c(-c4cccc(SC)c4)cnn3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.48
KMT2A Q03164 1/20 0.45
GAK O14976 1/20 0.45
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
BMP4 P12644 2/20 0.42
ACVR1 Q04771 3/20 0.41
PRKAB1 Q9Y478 2/20 0.41
TGFBR1 P36897 1/20 0.41
BMPR1A P36894 2/20 0.41
BMPR1B O00238 1/20 0.40
ACVRL1 P37023 1/20 0.40
TGFBR2 P37173 1/20 0.40
BMPR2 Q13873 1/20 0.40
MAOB P27338 1/20 0.40

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 0.86 KDR (0.51) KDRFLT1FLT4BMP4ACVR1
SCHEMBL23989007 0.84 KDR (0.65) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988930 0.83 KDR (0.47) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988879 0.83 ACVR1 (0.54) KDRKMT2AFLT1FLT4BMP4
SCHEMBL23988888 0.81 KDR (0.58) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988771 0.81 KDR (0.47) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988769 0.81 KDR (0.41) KDRKMT2AFLT1FLT4BMP4
SCHEMBL23988711 0.81 ACVR1 (0.47) KDRKMT2AGAKACVR1PRKAB1
SCHEMBL23988768 0.77 KDR (0.43) KDRKMT2AGAKFLT1FLT4
SCHEMBL23988895 0.77 ACVR1 (0.49) KDRKMT2AGAKFLT1FLT4

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