SCHEMBL7008533

SCHEMBL7008533

CC(C)(C)n1cc(-c2ccc(Oc3cccc(Cl)c3)cc2Cl)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.64
LCK P06239 8/20 0.64
TEK Q02763 8/20 0.64
SRC P12931 7/20 0.61
EGFR P00533 2/20 0.48
RET P07949 5/20 0.43
ABL1 P00519 1/20 0.42
ABL2 P42684 1/20 0.42
MAP4K4 O95819 1/20 0.40
RIPK2 O43353 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
SCHEMBL7009839 0.92 LCK (0.73) KDRLCKTEKSRCEGFR
SCHEMBL7006912 0.91 KDR (0.63) KDRLCKTEKSRCEGFR
SCHEMBL7011982 0.91 KDR (0.63) KDRLCKTEKSRCEGFR
SCHEMBL7011631 0.91 LCK (0.65) KDRLCKTEKSRCEGFR
SCHEMBL7009870 0.89 KDR (0.61) KDRLCKTEKSRCEGFR
SCHEMBL7006502 0.89 LCK (0.81) KDRLCKTEKSRCEGFR
SCHEMBL7009137 0.87 KDR (0.58) KDRLCKTEKSRCEGFR
SCHEMBL7009424 0.86 TEK (0.59) KDRLCKTEKSRCEGFR
SCHEMBL7012365 0.83 KDR (0.64) KDRLCKTEKSRCEGFR
SCHEMBL8145098 0.83 KDR (0.61) KDRLCKTEKSRCEGFR

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