SCHEMBL7845795

SCHEMBL7845795

Nc1ncnc2c1c(-c1ccc(OCc3ccccc3)cc1)cn2-c1cccc(OCCCCl)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.62
EGFR P00533 8/20 0.62
ABL1 P00519 7/20 0.62
ABL2 P42684 7/20 0.62
CDK1 P06493 5/20 0.62
KDR P35968 5/20 0.58
IGF1R P08069 4/20 0.56
CSK P41240 1/20 0.55
BTK Q06187 1/20 0.51

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
SCHEMBL7842598 0.96 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7845009 0.94 SRC (0.64) SRCEGFRABL1ABL2CDK1
SCHEMBL7844806 0.90 SRC (0.64) SRCEGFRABL1ABL2CDK1
SCHEMBL7845816 0.89 SRC (0.76) SRCEGFRABL1ABL2CDK1
SCHEMBL7835124 0.89 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7844437 0.88 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7845986 0.87 SRC (0.67) SRCEGFRABL1ABL2CDK1
SCHEMBL7833880 0.87 SRC (0.75) SRCEGFRABL1ABL2CDK1
SCHEMBL7842398 0.86 SRC (0.64) SRCEGFRABL1ABL2CDK1
SCHEMBL7842886 0.85 SRC (0.69) 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 4 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
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US 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