SCHEMBL7843346

SCHEMBL7843346

Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2-c1ccc(OCCNCCO)cc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.80
MPO P05164 1/20 0.67
TPO P07202 1/20 0.67
KCNH2 Q12809 1/20 0.67
EGFR P00533 6/20 0.66
ABL1 P00519 5/20 0.66
ABL2 P42684 5/20 0.66
CDK1 P06493 3/20 0.64
CSK P41240 2/20 0.64
KDR P35968 1/20 0.63
IGF1R P08069 3/20 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
SCHEMBL7846229 0.91 SRC (0.85) SRCMPOTPOKCNH2EGFR
SCHEMBL7847645 0.89 SRC (1.00) SRCMPOTPOKCNH2EGFR
SCHEMBL7841567 0.89 SRC (0.75) SRCMPOTPOKCNH2EGFR
SCHEMBL7835317 0.88 SRC (1.00) SRCMPOTPOKCNH2EGFR
SCHEMBL7844437 0.86 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7845672 0.85 SRC (0.89) SRCMPOTPOKCNH2EGFR
SCHEMBL7842681 0.85 SRC (0.86) SRCMPOTPOKCNH2EGFR
SCHEMBL7844068 0.84 SRC (0.67) SRCEGFRABL1ABL2CDK1
SCHEMBL7847466 0.84 SRC (0.73) SRCEGFRABL1ABL2CDK1
Dimethylamine SCHEMBL7844070 0.84 SRC (0.64) 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 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