SCHEMBL7844666

SCHEMBL7844666

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

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.82
MPO P05164 1/20 0.62
TPO P07202 1/20 0.62
KCNH2 Q12809 1/20 0.62
EGFR P00533 8/20 0.61
ABL1 P00519 7/20 0.61
ABL2 P42684 7/20 0.61
KDR P35968 5/20 0.61
CDK1 P06493 3/20 0.60
LCK P06239 1/20 0.56
TEK Q02763 1/20 0.56
CSK P41240 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
SCHEMBL7835010 0.95 SRC (0.79) SRCMPOTPOKCNH2EGFR
SCHEMBL7847909 0.93 SRC (0.76) SRCMPOTPOKCNH2EGFR
SCHEMBL7834758 0.92 SRC (0.74) SRCMPOTPOKCNH2EGFR
SCHEMBL7844800 0.91 SRC (0.73) SRCMPOTPOKCNH2EGFR
SCHEMBL7834179 0.88 SRC (0.66) SRCEGFRABL1ABL2KDR
SCHEMBL7844053 0.86 SRC (0.70) SRCMPOTPOKCNH2EGFR
SCHEMBL7834761 0.85 SRC (0.73) SRCMPOTPOKCNH2EGFR
SCHEMBL7833891 0.85 SRC (0.78) SRCEGFRABL1ABL2KDR
SCHEMBL7834902 0.84 SRC (0.63) SRCEGFRABL1ABL2KDR
SCHEMBL7843527 0.83 SRC (0.85) 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