SCHEMBL7007913

SCHEMBL7007913

COc1cccc(Oc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2OC)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.65
LCK P06239 7/20 0.65
TEK Q02763 7/20 0.65
SRC P12931 14/20 0.62
ABL1 P00519 8/20 0.52
EGFR P00533 8/20 0.52
ABL2 P42684 7/20 0.52
CDK1 P06493 2/20 0.52
PIK3CD O00329 1/20 0.49
HCK P08631 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
EPHB4 P54760 1/20 0.49
PRKDC P78527 1/20 0.49

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
SCHEMBL7097902 0.93 KDR (0.63) KDRLCKTEKSRCABL1
SCHEMBL8145545 0.92 KDR (0.56) KDRLCKTEKSRCABL1
SCHEMBL7006212 0.92 KDR (0.74) KDRLCKTEKSRCABL1
SCHEMBL7004833 0.92 KDR (0.62) KDRLCKTEKSRCABL1
SCHEMBL7007028 0.91 KDR (0.64) KDRLCKTEKSRCABL1
SCHEMBL7011559 0.88 LCK (0.84) KDRLCKTEKSRCABL1
SCHEMBL18520776 0.87 LCK (0.70) KDRLCKTEKSRCABL1
SCHEMBL7013820 0.83 KDR (0.78) KDRLCKTEKSRCABL1
SCHEMBL7010666 0.83 LCK (0.65) KDRLCKTEKSRCABL1
SCHEMBL7009552 0.83 LCK (0.65) 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 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