SCHEMBL17448563

SCHEMBL17448563

Cc1cccc(-c2cnn3cc(-c4ccc(CCN5CCCCC5)cc4)cnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.55
FLT1 P17948 5/20 0.55
FLT4 P35916 4/20 0.55
ACVR1 Q04771 7/20 0.52
ACVRL1 P37023 4/20 0.52
BMP4 P12644 4/20 0.52
BMPR1B O00238 3/20 0.52
BMPR1A P36894 3/20 0.52
PRKAB2 O43741 3/20 0.52
PRKAG1 P54619 3/20 0.52
PRKAA2 P54646 3/20 0.52
PRKAA1 Q13131 3/20 0.52
PRKAG3 Q9UGI9 3/20 0.52
PRKAG2 Q9UGJ0 3/20 0.52
PRKAB1 Q9Y478 3/20 0.52
ACVR1B P36896 2/20 0.52
LCK P06239 1/20 0.52
YES1 P07947 1/20 0.52
THRB P10828 1/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL17442320 0.88 KDR (0.61) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL26867332 0.88 KDR (0.52) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL24409648 0.87 KDR (0.51) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL23988897 0.87 KDR (0.51) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL26867388 0.87 KDR (0.51) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL17442071 0.86 KDR (0.53) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL17442204 0.86 KDR (0.53) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL17442043 0.86 ACVR1 (0.54) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL24409643 0.86 KDR (0.50) KDRFLT1FLT4ACVR1ACVRL1
SCHEMBL24409695 0.86 KDR (0.52) KDRFLT1FLT4ACVR1ACVRL1

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-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed