SCHEMBL7845816

SCHEMBL7845816

Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.76
EGFR P00533 8/20 0.76
ABL1 P00519 7/20 0.76
ABL2 P42684 7/20 0.76
CDK1 P06493 5/20 0.76
KDR P35968 6/20 0.70
CSK P41240 1/20 0.67
IGF1R P08069 7/20 0.64
INSR P06213 3/20 0.59
ROCK2 O75116 2/20 0.59
LYN P07948 2/20 0.59
AURKA O14965 1/20 0.59
PAK4 O96013 1/20 0.59
CHEK2 O96017 1/20 0.59
LCK P06239 1/20 0.59
CSF1R P07333 1/20 0.59
FGFR1 P11362 1/20 0.59
RPS6KB1 P23443 1/20 0.59
MARK3 P27448 1/20 0.59
FLT4 P35916 1/20 0.59

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
SCHEMBL7845009 0.90 SRC (0.64) SRCEGFRABL1ABL2CDK1
SCHEMBL7844806 0.90 SRC (0.64) SRCEGFRABL1ABL2CDK1
SCHEMBL7842598 0.89 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7845795 0.89 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7836066 0.89 SRC (0.71) SRCEGFRABL1ABL2CDK1
SCHEMBL7835156 0.89 SRC (0.72) SRCEGFRABL1ABL2CDK1
SCHEMBL7833880 0.89 SRC (0.75) SRCEGFRABL1ABL2CDK1
SCHEMBL7847466 0.89 SRC (0.73) SRCEGFRABL1ABL2CDK1
SCHEMBL7847602 0.88 SRC (0.68) SRCEGFRABL1ABL2CDK1
SCHEMBL7848389 0.87 SRC (0.67) SRCEGFRABL1ABL2CDK1

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