SCHEMBL19507

SCHEMBL19507

COc1cc(OC)cc(-c2cn3nc(N)nc3c(NCCCN3CCN(C)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.49
FGFR2 P21802 7/20 0.49
FGFR4 P22455 7/20 0.49
FGFR3 P22607 7/20 0.49
KDR P35968 7/20 0.49
FLT1 P17948 5/20 0.41
FLT4 P35916 5/20 0.41
PGK1 P00558 4/20 0.41
FLT3 P36888 1/20 0.40
MAPT P10636 1/20 0.40
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
UBE2N P61088 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TP53 P04637 1/20 0.37
KMT5A Q9NQR1 1/20 0.37

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
SCHEMBL20853 0.91 TLR9 (0.48) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL15207403 0.87 NOS3 (0.42) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL15207623 0.82 CALCA (0.39) FLT3MAPTTLR8POLB
SCHEMBL19506 0.79 FGFR1 (0.53) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL17908146 0.78 ALDH1A1 (0.46) MAPTTLR7TLR8POLBHPGD
SCHEMBL20177 0.73 KDM4E (0.41) MAPTTLR7POLBHPGD
SCHEMBL21252510 0.71 FGFR1 (0.49) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL20852 0.70 ALDH1A1 (0.45) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL24403 0.69 JAK2 (0.44) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL26928630 0.66 FGFR1 (1.00) FGFR1FGFR2FGFR4FGFR3KDR

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
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP claimed