SCHEMBL17448666

SCHEMBL17448666

O=S(O)c1cccc(-c2cnn3cc(-c4ccc(CCN5CCC(O)CC5)cc4)cnc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB1 Q9Y478 10/20 0.43
PRKAB2 O43741 9/20 0.43
PRKAG1 P54619 9/20 0.43
PRKAA2 P54646 9/20 0.43
PRKAA1 Q13131 9/20 0.43
PRKAG3 Q9UGI9 9/20 0.43
PRKAG2 Q9UGJ0 9/20 0.43
KDR P35968 13/20 0.43
FLT1 P17948 9/20 0.43
FLT4 P35916 5/20 0.43
ACVR1 Q04771 4/20 0.42
SRC P12931 6/20 0.42
LCK P06239 5/20 0.42
EPHA2 P29317 5/20 0.42
RPS6KA1 Q15418 5/20 0.42
MKNK1 Q9BUB5 5/20 0.42
FLT3 P36888 3/20 0.42
EGFR P00533 1/20 0.41
LYN P07948 1/20 0.41
TGFBR1 P36897 2/20 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
SCHEMBL17448516 0.91 KDR (0.53) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17448668 0.90 KDR (0.42) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17448598 0.89 PRKAB1 (0.55) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17448600 0.85 PRKAB1 (0.43) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17442200 0.84 ACVR1 (0.53) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL26867406 0.84 KDR (0.43) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24409624 0.83 KDR (0.43) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17442103 0.83 KDR (0.44) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17442104 0.83 KDR (0.44) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17448604 0.82 ACVR1 (0.55) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1

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