SCHEMBL7845893

SCHEMBL7845893

Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(CNCCN2CCNCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.73
EGFR P00533 12/20 0.73
KDR P35968 5/20 0.73
CSK P41240 2/20 0.73
ABL1 P00519 9/20 0.62
ABL2 P42684 9/20 0.62
CDK1 P06493 6/20 0.62
MAP4K4 O95819 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LYN P07948 1/20 0.44

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
SCHEMBL7842382 0.91 SRC (0.72) SRCEGFRKDRCSKABL1
SCHEMBL7846068 0.87 SRC (0.70) SRCEGFRKDRCSKABL1
SCHEMBL7842629 0.86 SRC (0.72) SRCEGFRKDRCSKABL1
SCHEMBL7834069 0.85 SRC (0.85) SRCEGFRKDRCSKABL1
Hydrochloric Acid SCHEMBL7844055 0.84 SRC (0.98) SRCEGFRKDRCSKABL1
SCHEMBL7833887 0.83 SRC (0.89) SRCEGFRKDRCSKABL1
SCHEMBL7847939 0.83 SRC (0.82) SRCEGFRKDRCSKABL1
SCHEMBL7847029 0.83 SRC (0.54) SRCEGFRKDRCSKABL1
SCHEMBL7845881 0.82 SRC (0.58) SRCEGFRKDRCSKABL1
SCHEMBL7842117 0.82 SRC (0.87) SRCEGFRKDRCSKABL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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