SCHEMBL7017495

SCHEMBL7017495

Nc1ncnc2c1c(-c1ccccc1)cn2C1CCN(CCNCCO)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.61
EGFR P00533 14/20 0.61
ABL1 P00519 12/20 0.61
ABL2 P42684 12/20 0.61
LCK P06239 2/20 0.61
BTK Q06187 2/20 0.58
RIPK2 O43353 1/20 0.57
HCK P08631 1/20 0.54

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
SCHEMBL7016556 0.92 SRC (0.61) SRCEGFRABL1ABL2LCK
SCHEMBL7021099 0.91 ABL1 (0.75) SRCEGFRABL1ABL2LCK
SCHEMBL7023713 0.90 SRC (0.72) SRCEGFRABL1ABL2LCK
SCHEMBL7019057 0.89 SRC (0.64) SRCEGFRABL1ABL2LCK
SCHEMBL7015214 0.89 ABL1 (0.79) SRCEGFRABL1ABL2LCK
SCHEMBL7020164 0.84 SRC (0.81) SRCEGFRABL1ABL2LCK
SCHEMBL8107889 0.84 SRC (0.64) SRCEGFRABL1ABL2LCK
SCHEMBL8098878 0.83 SRC (0.63) SRCEGFRABL1ABL2LCK
SCHEMBL8099110 0.82 SRC (0.71) SRCEGFRABL1ABL2LCK
SCHEMBL7023786 0.81 ABL1 (0.89) SRCEGFRABL1ABL2LCK

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