SCHEMBL7835124

SCHEMBL7835124

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.62
EGFR P00533 8/20 0.62
ABL1 P00519 7/20 0.62
ABL2 P42684 7/20 0.62
KDR P35968 5/20 0.62
CDK1 P06493 5/20 0.61
IGF1R P08069 2/20 0.55
INSR P06213 1/20 0.55
CSK P41240 1/20 0.54
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
PRKDC P78527 1/20 0.53
MPO P05164 1/20 0.51
TPO P07202 1/20 0.51
KCNH2 Q12809 1/20 0.51
BTK Q06187 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL7842598 0.92 SRC (0.62) SRCEGFRABL1ABL2KDR
SCHEMBL7844437 0.92 SRC (0.62) SRCEGFRABL1ABL2KDR
SCHEMBL7833880 0.91 SRC (0.75) SRCEGFRABL1ABL2KDR
SCHEMBL7847466 0.91 SRC (0.73) SRCEGFRABL1ABL2KDR
SCHEMBL7845795 0.89 SRC (0.62) SRCEGFRABL1ABL2KDR
SCHEMBL7844806 0.85 SRC (0.64) SRCEGFRABL1ABL2KDR
SCHEMBL7844800 0.84 SRC (0.73) SRCEGFRABL1ABL2KDR
SCHEMBL7845817 0.84 SRC (0.71) SRCEGFRABL1ABL2KDR
SCHEMBL7848781 0.83 SRC (0.71) SRCEGFRABL1ABL2KDR
SCHEMBL7845986 0.82 SRC (0.67) 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