SCHEMBL7842382

SCHEMBL7842382

Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(CNCCN2CCNCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.72
EGFR P00533 11/20 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
LYN P07948 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
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
SCHEMBL7845893 0.91 SRC (0.73) SRCEGFRABL1ABL2CDK1
SCHEMBL7841930 0.84 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7833894 0.84 SRC (0.84) SRCEGFRABL1ABL2CDK1
SCHEMBL7844827 0.83 SRC (0.59) SRCEGFRABL1ABL2CDK1
SCHEMBL7845036 0.82 SRC (0.88) SRCEGFRABL1ABL2CDK1
SCHEMBL7847860 0.82 SRC (0.81) SRCEGFRABL1ABL2CDK1
SCHEMBL7843548 0.80 SRC (0.72) SRCEGFRABL1ABL2CDK1
SCHEMBL7847029 0.78 SRC (0.54) SRCEGFRABL1ABL2CDK1
SCHEMBL7846068 0.78 SRC (0.70) SRCEGFRABL1ABL2CDK1
SCHEMBL7845881 0.78 SRC (0.58) 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 1 patent. 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