SCHEMBL7005899

SCHEMBL7005899

CC(C)n1cc(-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 14/20 1.00
KDR P35968 13/20 1.00
LCK P06239 12/20 1.00
SRC P12931 5/20 0.70
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
PRKDC P78527 1/20 0.49
HCK P08631 3/20 0.47
FLT3 P36888 2/20 0.46
EGFR P00533 1/20 0.45

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
SCHEMBL7004416 0.87 KDR (0.77) TEKKDRLCKSRCPIK3CD
SCHEMBL7003822 0.86 KDR (0.76) TEKKDRLCKSRCPIK3CD
SCHEMBL2075266 0.86 KDR (0.75) TEKKDRLCKSRCPIK3CD
SCHEMBL2075503 0.85 TEK (0.75) TEKKDRLCKSRCPIK3CD
SCHEMBL2075144 0.85 KDR (0.74) TEKKDRLCKSRCPIK3CD
SCHEMBL2073160 0.85 KDR (1.00) TEKKDRLCKSRCPIK3CD
SCHEMBL2075501 0.84 TEK (0.72) TEKKDRLCKSRCPIK3CD
SCHEMBL7008774 0.84 KDR (0.72) TEKKDRLCKSRCPIK3CD
SCHEMBL2075758 0.83 KDR (0.76) TEKKDRLCKSRCPIK3CD
SCHEMBL7005359 0.83 TEK (1.00) 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