SCHEMBL7009552

SCHEMBL7009552

Cc1cccc(Oc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.65
KDR P35968 9/20 0.65
TEK Q02763 9/20 0.65
SRC P12931 10/20 0.62
ABL1 P00519 4/20 0.46
RIPK2 O43353 1/20 0.44
EGFR P00533 3/20 0.44
RET P07949 2/20 0.44
ABL2 P42684 2/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL8145545 0.92 KDR (0.56) LCKKDRTEKSRCABL1
SCHEMBL7007028 0.91 KDR (0.64) LCKKDRTEKSRCABL1
SCHEMBL7012948 0.91 LCK (0.75) LCKKDRTEKSRCABL1
SCHEMBL7007653 0.91 LCK (0.63) LCKKDRTEKSRCABL1
SCHEMBL7013873 0.91 KDR (0.63) LCKKDRTEKSRCABL1
SCHEMBL7097902 0.91 KDR (0.63) LCKKDRTEKSRCABL1
SCHEMBL7006962 0.88 LCK (0.83) LCKKDRTEKSRCEGFR
SCHEMBL7007913 0.83 KDR (0.65) LCKKDRTEKSRCABL1
SCHEMBL7010666 0.83 LCK (0.65) LCKKDRTEKSRCABL1
SCHEMBL7012365 0.82 KDR (0.64) LCKKDRTEKSRCABL1

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