SCHEMBL7008265

SCHEMBL7008265

CCOC(=O)c1cc(Oc2ccccc2)ccc1-c1cn(C(C)(C)C)c2ncnc(N)c12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.62
KDR P35968 8/20 0.62
TEK Q02763 8/20 0.62
SRC P12931 7/20 0.62
EGFR P00533 2/20 0.47
HCK P08631 4/20 0.47
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
FLT3 P36888 2/20 0.42
RET P07949 2/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL7014152 0.92 KDR (0.54) LCKKDRTEKSRCEGFR
SCHEMBL7005544 0.88 LCK (0.68) LCKKDRTEKSRCEGFR
SCHEMBL7011523 0.84 KDR (0.63) LCKKDRTEKSRCEGFR
SCHEMBL7013132 0.83 KDR (0.69) LCKKDRTEKSRCEGFR
SCHEMBL7008614 0.83 LCK (0.74) LCKKDRTEKSRCEGFR
SCHEMBL7003841 0.83 LCK (0.74) LCKKDRTEKSRCEGFR
SCHEMBL7005538 0.82 KDR (0.65) LCKKDRTEKSRCEGFR
SCHEMBL8128260 0.82 KDR (0.51) LCKKDRTEKSRCEGFR
SCHEMBL7009839 0.80 LCK (0.73) LCKKDRTEKSRCEGFR
SCHEMBL7009137 0.80 KDR (0.58) LCKKDRTEKSRCEGFR

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 2 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
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed