SCHEMBL7844800

SCHEMBL7844800

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.73
EGFR P00533 10/20 0.73
ABL1 P00519 8/20 0.73
ABL2 P42684 8/20 0.73
KDR P35968 6/20 0.73
CDK1 P06493 5/20 0.73
CSK P41240 2/20 0.67
MPO P05164 1/20 0.59
TPO P07202 1/20 0.59
KCNH2 Q12809 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL7844053 0.95 SRC (0.70) SRCEGFRABL1ABL2KDR
SCHEMBL7848781 0.92 SRC (0.71) SRCEGFRABL1ABL2KDR
SCHEMBL7845043 0.91 SRC (0.70) SRCEGFRABL1ABL2KDR
SCHEMBL7844666 0.91 SRC (0.82) SRCEGFRABL1ABL2KDR
SCHEMBL7846229 0.91 SRC (0.85) SRCEGFRABL1ABL2KDR
SCHEMBL7835156 0.89 SRC (0.72) SRCEGFRABL1ABL2KDR
SCHEMBL7844861 0.88 SRC (0.73) SRCEGFRABL1ABL2KDR
SCHEMBL7847466 0.88 SRC (0.73) SRCEGFRABL1ABL2KDR
SCHEMBL7843527 0.88 SRC (0.85) SRCEGFRABL1ABL2CDK1
SCHEMBL7835010 0.86 SRC (0.79) 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