SCHEMBL17448604

SCHEMBL17448604

O=S(O)c1cccc(-c2cnn3cc(-c4ccc(CN5CCCC5)cc4)cnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 6/20 0.55
BMPR1B O00238 3/20 0.49
BMPR1A P36894 3/20 0.49
ACVRL1 P37023 3/20 0.49
KDR P35968 12/20 0.49
FLT1 P17948 6/20 0.49
FLT4 P35916 4/20 0.49
HPGD P15428 1/20 0.45
PRKAB1 Q9Y478 4/20 0.44
PRKAB2 O43741 3/20 0.44
PRKAG1 P54619 3/20 0.44
PRKAA2 P54646 3/20 0.44
PRKAA1 Q13131 3/20 0.44
PRKAG3 Q9UGI9 3/20 0.44
PRKAG2 Q9UGJ0 3/20 0.44
TGFBR1 P36897 2/20 0.44
ACVR1B P36896 2/20 0.44
LCK P06239 2/20 0.44
SRC P12931 2/20 0.44
EPHA2 P29317 2/20 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
SCHEMBL17448516 0.90 KDR (0.53) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17448655 0.85 FLT1 (0.69) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17448668 0.83 KDR (0.42) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17448598 0.83 PRKAB1 (0.55) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17448666 0.82 PRKAB1 (0.43) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17448644 0.82 ACVR1 (0.63) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17442061 0.81 ACVR1 (0.53) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17442070 0.81 ACVR1 (0.60) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL17448567 0.81 ACVR1 (0.46) ACVR1BMPR1BBMPR1AACVRL1KDR
SCHEMBL19123596 0.80 ACVR1 (0.69) ACVR1BMPR1BBMPR1AACVRL1KDR

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