SCHEMBL7844600

SCHEMBL7844600

Nc1ncnc2c1c(-c1ccc(O)cc1)cn2-c1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.71
EGFR P00533 9/20 0.71
ABL1 P00519 7/20 0.71
ABL2 P42684 7/20 0.71
KDR P35968 6/20 0.71
CDK1 P06493 5/20 0.62
BTK Q06187 6/20 0.60
LMNA P02545 1/20 0.55
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
SCHEMBL7833854 0.91 SRC (0.86) SRCEGFRABL1ABL2KDR
SCHEMBL7845957 0.89 SRC (0.66) SRCEGFRABL1ABL2KDR
SCHEMBL7845787 0.85 SRC (0.84) SRCEGFRABL1ABL2KDR
SCHEMBL7847337 0.85 SRC (0.85) SRCEGFRABL1ABL2KDR
SCHEMBL7844427 0.83 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL1895898 0.83 SRC (0.82) SRCEGFRABL1ABL2KDR
SCHEMBL7834179 0.83 SRC (0.66) SRCEGFRABL1ABL2KDR
SCHEMBL1897340 0.82 SRC (0.69) SRCEGFRABL1ABL2KDR
SCHEMBL7843715 0.82 SRC (0.78) SRCEGFRABL1ABL2KDR
SCHEMBL7846118 0.82 SRC (0.73) 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