SCHEMBL7007353

SCHEMBL7007353

COc1ccc(Oc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 1.00
TEK Q02763 11/20 1.00
LCK P06239 11/20 1.00
SRC P12931 10/20 0.83
ABL1 P00519 2/20 0.60
EGFR P00533 2/20 0.60
ABL2 P42684 2/20 0.60
RIPK2 O43353 1/20 0.55
RET P07949 2/20 0.52

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
SCHEMBL7007092 0.92 TEK (1.00) KDRTEKLCKSRCABL1
SCHEMBL7011559 0.91 LCK (0.84) KDRTEKLCKSRCABL1
SCHEMBL6861193 0.91 LCK (1.00) KDRTEKLCKSRCABL1
SCHEMBL7004369 0.89 TEK (1.00) KDRTEKLCKSRCABL1
SCHEMBL7013820 0.88 KDR (0.78) KDRTEKLCKSRCABL1
SCHEMBL7008467 0.85 LCK (1.00) KDRTEKLCKSRCEGFR
SCHEMBL7008419 0.85 LCK (0.83) KDRTEKLCKSRCABL1
SCHEMBL7006962 0.85 LCK (0.83) KDRTEKLCKSRCEGFR
SCHEMBL7006502 0.84 LCK (0.81) KDRTEKLCKSRCABL1
SCHEMBL7012315 0.83 TEK (0.78) KDRTEKLCKSRCABL1

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 5 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 claimed
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