SCHEMBL7007563

SCHEMBL7007563

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.62
LCK P06239 9/20 0.62
TEK Q02763 9/20 0.62
SRC P12931 9/20 0.59
EGFR P00533 4/20 0.46
ABL1 P00519 3/20 0.46
ABL2 P42684 2/20 0.46
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
PRKDC P78527 2/20 0.43
HCK P08631 1/20 0.43
MTOR P42345 1/20 0.43
EPHB4 P54760 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
RIPK2 O43353 1/20 0.42
RET P07949 2/20 0.42
CDK1 P06493 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
SCHEMBL8145098 0.95 KDR (0.61) KDRLCKTEKSRCEGFR
SCHEMBL7010666 0.92 LCK (0.65) KDRLCKTEKSRCEGFR
SCHEMBL7012365 0.91 KDR (0.64) KDRLCKTEKSRCEGFR
SCHEMBL7013873 0.90 KDR (0.63) KDRLCKTEKSRCEGFR
SCHEMBL7009724 0.90 LCK (0.74) KDRLCKTEKSRCEGFR
SCHEMBL7004833 0.89 KDR (0.62) KDRLCKTEKSRCEGFR
SCHEMBL7007578 0.89 KDR (0.59) KDRLCKTEKSRCEGFR
SCHEMBL7006502 0.87 LCK (0.81) KDRLCKTEKSRCEGFR
SCHEMBL7010611 0.86 LCK (0.63) KDRLCKTEKSRCEGFR
SCHEMBL7006912 0.85 KDR (0.63) 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