SCHEMBL23988994

SCHEMBL23988994

Cc1ccc(-c2cnc3c(-c4ccc(C(=N)N)cc4)cnn3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.67
FLT1 P17948 4/20 0.53
FLT4 P35916 4/20 0.53
BMP4 P12644 2/20 0.50
GAK O14976 1/20 0.48
ACVR1 Q04771 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
ACVRL1 P37023 1/20 0.46
TGFBR2 P37173 1/20 0.46
BMPR2 Q13873 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL23988878 0.85 KDR (0.64) KDRFLT1FLT4BMP4GAK
SCHEMBL19110489 0.82 ACVR1 (0.57) KDRFLT1FLT4BMP4ACVR1
SCHEMBL7618559 0.81 KDR (0.77) KDRFLT1FLT4BMP4GAK
SCHEMBL7618989 0.80 KDR (1.00) KDRFLT1FLT4BMP4ACVR1
SCHEMBL17442229 0.80 ACVR1 (0.73) KDRBMP4ACVR1PRKAB1BMPR1B
SCHEMBL23988903 0.79 KDR (0.53) KDRBMP4ACVR1PRKAB1BMPR1B
SCHEMBL23988761 0.78 KDR (0.67) KDRFLT1FLT4BMP4GAK
SCHEMBL23988765 0.76 KDR (0.68) KDRFLT1FLT4BMP4GAK
SCHEMBL17442058 0.75 RET (0.51) KDRACVR1PRKAB1BMPR1BBMPR1A
SCHEMBL7613010 0.74 KDR (0.76) KDRFLT1FLT4BMP4

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