SCHEMBL7842398

SCHEMBL7842398

Nc1ncnc2c1c(-c1ccc(OCc3ccccc3)cc1)cn2-c1cccc(OCCCn2ccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.64
EGFR P00533 6/20 0.54
ABL1 P00519 5/20 0.54
ABL2 P42684 5/20 0.54
CDK1 P06493 4/20 0.54
IGF1R P08069 4/20 0.51
KDR P35968 3/20 0.51
CSK P41240 1/20 0.49
HMOX1 P09601 1/20 0.46
BTK Q06187 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.45

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
SCHEMBL7842886 0.96 SRC (0.69) SRCEGFRABL1ABL2CDK1
SCHEMBL7846032 0.94 SRC (0.67) SRCEGFRABL1ABL2CDK1
SCHEMBL7834123 0.90 SRC (0.73) SRCEGFRABL1ABL2CDK1
SCHEMBL7835012 0.89 SRC (0.64) SRCEGFRABL1ABL2CDK1
SCHEMBL7845817 0.89 SRC (0.71) SRCEGFRABL1ABL2CDK1
SCHEMBL7842627 0.89 SRC (0.81) SRCEGFRABL1ABL2CDK1
SCHEMBL7846544 0.88 SRC (0.74) SRCEGFRABL1ABL2CDK1
SCHEMBL7845795 0.86 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7844157 0.86 SRC (0.64) SRCEGFRABL1ABL2CDK1
SCHEMBL7845830 0.85 SRC (0.64) 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