SCHEMBL7007578

SCHEMBL7007578

CC(C)(C)n1cc(-c2ccc(Oc3cccc(Cl)c3)c(C(N)=O)c2)c2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.59
LCK P06239 7/20 0.59
TEK Q02763 7/20 0.59
SRC P12931 11/20 0.56
ABL1 P00519 4/20 0.46
EGFR P00533 4/20 0.46
ABL2 P42684 4/20 0.46
EIF2AK2 P19525 1/20 0.43
EIF2AK1 Q9BQI3 1/20 0.43
EIF2AK3 Q9NZJ5 1/20 0.43
CDK1 P06493 1/20 0.42
RET P07949 2/20 0.41
RIPK2 O43353 1/20 0.41

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
SCHEMBL7011965 0.90 KDR (0.54) KDRLCKTEKSRCABL1
SCHEMBL7010640 0.90 LCK (0.70) KDRLCKTEKSRCABL1
SCHEMBL8128260 0.89 KDR (0.51) KDRLCKTEKSRCABL1
SCHEMBL7007563 0.89 KDR (0.62) KDRLCKTEKSRCABL1
SCHEMBL7012365 0.88 KDR (0.64) KDRLCKTEKSRCABL1
SCHEMBL7013873 0.88 KDR (0.63) KDRLCKTEKSRCABL1
SCHEMBL7004833 0.87 KDR (0.62) KDRLCKTEKSRCABL1
SCHEMBL7009137 0.86 KDR (0.58) KDRLCKTEKSRCABL1
SCHEMBL7012725 0.85 LCK (0.58) KDRLCKTEKSRCABL1
SCHEMBL7006502 0.84 LCK (0.81) KDRLCKTEKSRCABL1

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