SCHEMBL7010879

SCHEMBL7010879

CCOC(=O)c1cccc(Oc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.54
TEK Q02763 9/20 0.54
LCK P06239 8/20 0.54
SRC P12931 8/20 0.51
EGFR P00533 1/20 0.49
RIPK1 Q13546 4/20 0.40
RET P07949 3/20 0.40
KIT P10721 2/20 0.40
HCK P08631 2/20 0.40
MAPK13 O15264 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
FYN P06241 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40
MET P08581 1/20 0.40
FGR P09769 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
EIF2AK2 P19525 1/20 0.40

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
SCHEMBL7012725 0.90 LCK (0.58) KDRTEKLCKSRCEGFR
SCHEMBL7013132 0.89 KDR (0.69) KDRTEKLCKSRCEGFR
SCHEMBL7011965 0.86 KDR (0.54) KDRTEKLCKSRCEGFR
SCHEMBL7010611 0.85 LCK (0.63) KDRTEKLCKSRCEGFR
SCHEMBL7007653 0.85 LCK (0.63) KDRTEKLCKSRCEGFR
SCHEMBL7012365 0.84 KDR (0.64) KDRTEKLCKSRCEGFR
SCHEMBL7012650 0.83 LCK (0.74) KDRTEKLCKSRCEGFR
SCHEMBL7011523 0.83 KDR (0.63) KDRTEKLCKSRCEGFR
SCHEMBL8128260 0.80 KDR (0.51) KDRTEKLCKSRCEGFR
SCHEMBL7007578 0.79 KDR (0.59) KDRTEKLCKSRCEGFR

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 4 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 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