SCHEMBL7005282

SCHEMBL7005282

CC(C)n1cc(-c2ccc(Oc3ccc([N+](=O)[O-])c(C(=O)O)c3)cc2)c2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TEK Q02763 15/20 0.69
KDR P35968 14/20 0.69
LCK P06239 12/20 0.69
SRC P12931 4/20 0.64
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PRKDC P78527 1/20 0.48
FLT3 P36888 4/20 0.45
HCK P08631 3/20 0.44

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
SCHEMBL7003822 0.86 KDR (0.76) TEKKDRLCKSRCPIK3CD
SCHEMBL2072184 0.85 TEK (0.69) TEKKDRLCKSRCPIK3CD
SCHEMBL7008114 0.85 TEK (0.72) TEKKDRLCKSRCPIK3CD
SCHEMBL7013994 0.83 TEK (0.65) TEKKDRLCKSRCPIK3CD
SCHEMBL7013990 0.83 TEK (0.65) TEKKDRLCKSRCPIK3CD
SCHEMBL7010751 0.82 TEK (0.69) TEKKDRLCKSRCPIK3CD
SCHEMBL7004416 0.82 KDR (0.77) TEKKDRLCKSRCPIK3CD
SCHEMBL7005899 0.81 TEK (1.00) TEKKDRLCKSRCPIK3CD
SCHEMBL7008774 0.80 KDR (0.72) TEKKDRLCKSRCPIK3CD
SCHEMBL2073069 0.80 KDR (0.66) 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 5 patents. 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
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed