SCHEMBL7844580

SCHEMBL7844580

NCCOc1ccc(-n2cc(-c3cccc(O)c3)c3c(N)ncnc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.76
ABL1 P00519 4/20 0.58
EGFR P00533 4/20 0.58
ABL2 P42684 4/20 0.58
CDK1 P06493 3/20 0.58
KDR P35968 3/20 0.56
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
PRKDC P78527 1/20 0.55

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
SCHEMBL7844402 0.92 SRC (0.75) SRCABL1EGFRABL2CDK1
SCHEMBL7834175 0.88 SRC (0.71) SRCABL1EGFRABL2CDK1
SCHEMBL7848781 0.88 SRC (0.71) SRCABL1EGFRABL2CDK1
SCHEMBL7835919 0.88 SRC (0.76) SRCABL1EGFRABL2CDK1
SCHEMBL7847909 0.87 SRC (0.76) SRCABL1EGFRABL2CDK1
SCHEMBL7835317 0.87 SRC (1.00) SRCABL1EGFRABL2CDK1
Dimethylamine SCHEMBL7834177 0.86 SRC (0.71) SRCABL1EGFRABL2CDK1
SCHEMBL7841904 0.84 SRC (0.81) SRCABL1EGFRABL2CDK1
SCHEMBL7841486 0.84 SRC (0.78) SRCABL1EGFRABL2CDK1
SCHEMBL7844022 0.83 SRC (0.75) SRCABL1EGFRABL2CDK1

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