SCHEMBL7843548

SCHEMBL7843548

Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(CNCCc2c[nH]cn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.72
EGFR P00533 10/20 0.72
ABL1 P00519 8/20 0.72
ABL2 P42684 8/20 0.72
CDK1 P06493 4/20 0.72
CSK P41240 2/20 0.72
KDR P35968 5/20 0.60
TP53 P04637 2/20 0.46
PDE11A Q9HCR9 1/20 0.46

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
SCHEMBL7834347 0.91 SRC (0.73) SRCEGFRABL1ABL2CDK1
SCHEMBL7841930 0.84 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7833894 0.84 SRC (0.84) SRCEGFRABL1ABL2CDK1
SCHEMBL7847704 0.82 SRC (0.63) SRCEGFRABL1ABL2CDK1
SCHEMBL7847860 0.82 SRC (0.81) SRCEGFRABL1ABL2CDK1
SCHEMBL7845036 0.82 SRC (0.88) SRCEGFRABL1ABL2CDK1
SCHEMBL7842382 0.80 SRC (0.72) SRCEGFRABL1ABL2CDK1
SCHEMBL7851060 0.78 SRC (0.54) SRCEGFRABL1ABL2CDK1
SCHEMBL7847078 0.76 SRC (0.82) SRCEGFRABL1ABL2CDK1
SCHEMBL7835361 0.76 SRC (1.00) 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