SCHEMBL7847736

SCHEMBL7847736

COc1cccc(-c2cn(-c3cccc(CNCCO)c3)c3ncnc(N)c23)c1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.85
EGFR P00533 9/20 0.85
ABL1 P00519 8/20 0.85
ABL2 P42684 8/20 0.85
CSK P41240 2/20 0.80
KDR P35968 1/20 0.80
CDK1 P06493 4/20 0.79

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
SCHEMBL12856440 0.92 SRC (1.00) SRCEGFRABL1ABL2CSK
SCHEMBL7845672 0.89 SRC (0.89) SRCEGFRABL1ABL2CSK
Hydrochloric Acid SCHEMBL7844055 0.88 SRC (0.98) SRCEGFRABL1ABL2CSK
SCHEMBL7845870 0.88 SRC (1.00) SRCEGFRABL1ABL2CSK
SCHEMBL7847181 0.86 SRC (0.87) SRCEGFRABL1ABL2CSK
SCHEMBL7847554 0.85 SRC (0.80) SRCEGFRABL1ABL2KDR
SCHEMBL7847645 0.84 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7843353 0.84 SRC (0.78) SRCEGFRABL1ABL2KDR
SCHEMBL7833887 0.84 SRC (0.89) SRCEGFRABL1ABL2CSK
SCHEMBL7842117 0.83 SRC (0.87) SRCEGFRABL1ABL2CSK

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-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed