SCHEMBL19506

SCHEMBL19506

COc1cc(OC)cc(-c2cnc(NCCCN3CCN(C)CC3)c3nc(N)nn23)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 11/20 0.53
KDR P35968 9/20 0.53
FGFR2 P21802 8/20 0.53
FGFR4 P22455 8/20 0.53
FGFR3 P22607 8/20 0.53
FLT1 P17948 5/20 0.44
FLT4 P35916 5/20 0.44
PGK1 P00558 1/20 0.41
FLT3 P36888 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
UBE2N P61088 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
MAPT P10636 1/20 0.37
KMT5A Q9NQR1 1/20 0.37
EGFR P00533 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
SCHEMBL20852 0.91 ALDH1A1 (0.45) FGFR1KDRFGFR2FGFR4FGFR3
SCHEMBL15207401 0.88 TLR7 (0.41) FGFR1KDRFGFR2FGFR4FGFR3
SCHEMBL15208247 0.84 FYN (0.37) FGFR1KDRFGFR2FGFR4FGFR3
SCHEMBL15207618 0.83 FYN (0.41) FGFR1KDRFGFR2FGFR4FGFR3
SCHEMBL19507 0.79 FGFR1 (0.49) FGFR1KDRFGFR2FGFR4FGFR3
SCHEMBL17908145 0.79 ALDH1A1 (0.45) POLBHPGDTLR7TLR8MAPT
SCHEMBL20176 0.73 KDM4E (0.40) POLBHPGDTLR7TLR8
SCHEMBL20853 0.70 TLR9 (0.48) FGFR1KDRFGFR2FGFR4FGFR3
SCHEMBL26928630 0.69 FGFR1 (1.00) FGFR1KDRFGFR2FGFR4FGFR3
SCHEMBL21252510 0.69 FGFR1 (0.49) FGFR1KDRFGFR2FGFR4FGFR3

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