SCHEMBL7021099

SCHEMBL7021099

Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCN(CCNCCO)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.75
SRC P12931 16/20 0.75
EGFR P00533 16/20 0.75
ABL2 P42684 15/20 0.75
LCK P06239 8/20 0.75
IGF1R P08069 4/20 0.62
JAK2 O60674 3/20 0.62
INSR P06213 3/20 0.62
RET P07949 3/20 0.62
KIT P10721 3/20 0.62
PDGFRA P16234 3/20 0.62
FGFR4 P22455 3/20 0.62
FGFR3 P22607 3/20 0.62
KDR P35968 3/20 0.62
ALK Q9UM73 3/20 0.62
NTRK1 P04629 2/20 0.62
NPM1 P06748 2/20 0.62
CSF1R P07333 2/20 0.62
LYN P07948 2/20 0.62
MET P08581 2/20 0.62

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
SCHEMBL7023786 0.91 ABL1 (0.89) ABL1SRCEGFRABL2LCK
SCHEMBL7017495 0.91 SRC (0.61) ABL1SRCEGFRABL2LCK
SCHEMBL7016556 0.91 SRC (0.61) ABL1SRCEGFRABL2LCK
SCHEMBL7015214 0.89 ABL1 (0.79) ABL1SRCEGFRABL2LCK
SCHEMBL8108556 0.86 ABL1 (1.00) ABL1SRCEGFRABL2LCK
SCHEMBL8098865 0.85 ABL1 (0.76) ABL1SRCEGFRABL2LCK
SCHEMBL7019057 0.84 SRC (0.64) ABL1SRCEGFRABL2LCK
SCHEMBL7019164 0.83 ABL1 (1.00) ABL1SRCEGFRABL2LCK
SCHEMBL7023713 0.82 SRC (0.72) ABL1SRCEGFRABL2LCK
SCHEMBL7022341 0.82 ABL1 (0.69) ABL1SRCEGFRABL2LCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP claimed
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed