SCHEMBL16588362

SCHEMBL16588362

Nc1cc2ncc(I)n2cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.33
JAK2 O60674 1/20 0.33
RET P07949 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
PIM3 Q86V86 1/20 0.33
ALK Q9UM73 1/20 0.33
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL13336376 0.76 FLT3 (0.31) FLT3
SCHEMBL10138768 0.76 ABL1 (0.41)
SCHEMBL13336378 0.66 CYP2C19 (0.40)
SCHEMBL13574254 0.63 FGFR3 (0.46) KDR
SCHEMBL380169 0.63 KDR (0.35) KDRFLT3
SCHEMBL557273 0.63 KDR (0.41) RETKDRFLT3
SCHEMBL24975909 0.60 FGFR1 (0.35) FGFR1FLT3
SCHEMBL3328465 0.59 DYRK1A (0.34) FGFR1KDR
SCHEMBL3323846 0.59 PRMT5 (0.41) KDRFLT3
SCHEMBL23089490 0.59 KDR (0.33) KDRFLT3

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-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed