SCHEMBL27780673

SCHEMBL27780673

[CH2]Cc1coc(-c2cn3ncnc(N)c3c2-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.42
FLT1 P17948 5/20 0.42
TEK Q02763 4/20 0.42
CSF1R P07333 2/20 0.40
SRC P12931 2/20 0.40
FLT4 P35916 2/20 0.40
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
AKT3 Q9Y243 1/20 0.40
BTK Q06187 4/20 0.39
KDR P35968 4/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
LYN P07948 1/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL3619641 0.94 RIPK1 (0.45) RIPK1FLT1TEKCSF1RSRC
SCHEMBL27780722 0.88 TEK (0.56) RIPK1FLT1TEKCSF1RSRC
SCHEMBL3620600 0.87 RIPK1 (0.44) RIPK1FLT1TEKCSF1RSRC
SCHEMBL3621408 0.86 FLT1 (0.40) RIPK1FLT1TEKCSF1RSRC
SCHEMBL27682717 0.85 BTK (0.42) RIPK1FLT1TEKCSF1RSRC
SCHEMBL15221994 0.83 KDR (0.42) RIPK1FLT1TEKCSF1RSRC
SCHEMBL275476 0.82 RIPK1 (0.45) RIPK1FLT1TEKCSF1RSRC
SCHEMBL275201 0.82 RIPK1 (0.44) RIPK1FLT1TEKCSF1RSRC
SCHEMBL3619710 0.82 TEK (0.57) RIPK1FLT1TEKCSF1RSRC
SCHEMBL275915 0.82 BTK (0.46) RIPK1FLT1TEKCSF1RSRC

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
CN-1993361-B Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP 2010-05-26 CN disclosed