SCHEMBL7833880

SCHEMBL7833880

Nc1ncnc2c1c(-c1ccc(OCc3ccccc3)cc1)cn2-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.75
EGFR P00533 12/20 0.75
ABL1 P00519 9/20 0.75
ABL2 P42684 9/20 0.75
KDR P35968 6/20 0.75
CDK1 P06493 7/20 0.73
PIK3CD O00329 1/20 0.59
PIK3CA P42336 1/20 0.59
PIK3CB P42338 1/20 0.59
PIK3CG P48736 1/20 0.59
PRKDC P78527 1/20 0.59
INSR P06213 1/20 0.59
IGF1R P08069 1/20 0.59
CSK P41240 2/20 0.58
LCK P06239 2/20 0.54
BTK Q06187 1/20 0.54
TEK Q02763 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL7847466 0.95 SRC (0.73) SRCEGFRABL1ABL2KDR
SCHEMBL7835124 0.91 SRC (0.62) SRCEGFRABL1ABL2KDR
SCHEMBL7845816 0.89 SRC (0.76) SRCEGFRABL1ABL2KDR
SCHEMBL7845795 0.87 SRC (0.62) SRCEGFRABL1ABL2KDR
SCHEMBL7842598 0.87 SRC (0.62) SRCEGFRABL1ABL2KDR
SCHEMBL15934520 0.87 SRC (0.80) SRCEGFRABL1ABL2KDR
SCHEMBL5016910 0.86 PIK3CD (0.65) SRCEGFRABL1ABL2KDR
SCHEMBL7848142 0.86 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL31061695 0.85 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL5936176 0.85 SRC (1.00) SRCEGFRABL1ABL2KDR

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