SCHEMBL7008891

SCHEMBL7008891

COc1cc(Oc2cccc(C)c2)ccc1-c1cn(C(C)(C)C)c2ncnc(N)c12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.62
KDR P35968 7/20 0.62
TEK Q02763 7/20 0.62
SRC P12931 9/20 0.59
EGFR P00533 2/20 0.46
RET P07949 5/20 0.42
ABL1 P00519 2/20 0.41
CDK1 P06493 1/20 0.41
ABL2 P42684 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
SCHEMBL7009027 0.91 LCK (0.72) LCKKDRTEKSRCEGFR
SCHEMBL7009870 0.90 KDR (0.61) LCKKDRTEKSRCEGFR
SCHEMBL7006962 0.86 LCK (0.83) LCKKDRTEKSRCEGFR
SCHEMBL7097902 0.85 KDR (0.63) LCKKDRTEKSRCEGFR
SCHEMBL7011554 0.84 KDR (0.64) LCKKDRTEKSRCEGFR
SCHEMBL7003841 0.81 LCK (0.74) LCKKDRTEKSRCEGFR
SCHEMBL7009552 0.81 LCK (0.65) LCKKDRTEKSRCEGFR
SCHEMBL7011559 0.80 LCK (0.84) LCKKDRTEKSRCEGFR
SCHEMBL8145545 0.80 KDR (0.56) LCKKDRTEKSRCEGFR
SCHEMBL7011982 0.80 KDR (0.63) LCKKDRTEKSRCEGFR

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