SCHEMBL7010751

SCHEMBL7010751

Cc1c(C(=O)O)ccc(Oc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)cc2)c1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 14/20 0.69
KDR P35968 13/20 0.69
LCK P06239 11/20 0.69
SRC P12931 4/20 0.58
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
FLT3 P36888 3/20 0.43
HCK P08631 3/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL7013994 0.88 TEK (0.65) TEKKDRLCKSRCPIK3CD
SCHEMBL7013990 0.88 TEK (0.65) TEKKDRLCKSRCPIK3CD
SCHEMBL7008114 0.86 TEK (0.72) TEKKDRLCKSRCPIK3CD
SCHEMBL7005282 0.82 TEK (0.69) TEKKDRLCKSRCPIK3CD
SCHEMBL2073069 0.81 KDR (0.66) TEKKDRLCKSRCPIK3CD
SCHEMBL7005899 0.79 TEK (1.00) TEKKDRLCKSRCPIK3CD
SCHEMBL6464268 0.78 TEK (0.70) TEKKDRLCKSRCPIK3CD
SCHEMBL7008774 0.78 KDR (0.72) TEKKDRLCKSRCPIK3CD
SCHEMBL7004771 0.77 KDR (0.63) TEKKDRLCKSRCPIK3CD
SCHEMBL2075886 0.77 TEK (0.72) TEKKDRLCKSRCPIK3CD

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-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed