SCHEMBL7014152

SCHEMBL7014152

CCOC(=O)c1cc(Oc2cccc(Cl)c2)ccc1-c1cn(C(C)(C)C)c2ncnc(N)c12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
LCK P06239 6/20 0.54
TEK Q02763 6/20 0.54
SRC P12931 6/20 0.52
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
RET P07949 4/20 0.41
EGFR P00533 2/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
HCK P08631 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7008265 0.92 LCK (0.62) KDRLCKTEKSRCCYP1A2
SCHEMBL8128260 0.89 KDR (0.51) KDRLCKTEKSRCCYP1A2
SCHEMBL7009137 0.89 KDR (0.58) KDRLCKTEKSRCRET
SCHEMBL7011965 0.86 KDR (0.54) KDRLCKTEKSRCCYP1A2
SCHEMBL7006912 0.84 KDR (0.63) KDRLCKTEKSRCRET
SCHEMBL7011982 0.84 KDR (0.63) KDRLCKTEKSRCRET
SCHEMBL7008533 0.83 KDR (0.64) KDRLCKTEKSRCRET
SCHEMBL7009870 0.81 KDR (0.61) KDRLCKTEKSRCRET
SCHEMBL7013132 0.81 KDR (0.69) KDRLCKTEKSRCEGFR
SCHEMBL7006502 0.81 LCK (0.81) KDRLCKTEKSRCCYP1A2

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