SCHEMBL8320765

SCHEMBL8320765

CN1CCCC(n2cc(-c3ccccc3)c3c(N)ncnc32)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.75
EGFR P00533 15/20 0.75
ABL1 P00519 12/20 0.75
ABL2 P42684 11/20 0.75
RIPK2 O43353 1/20 0.65
LCK P06239 5/20 0.62
KDR P35968 4/20 0.62
TEK Q02763 4/20 0.62
LYN P07948 3/20 0.62
FYN P06241 2/20 0.62
CSK P41240 2/20 0.62
BTK Q06187 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
RGS12 O14924 1/20 0.62
NPC1 O15118 1/20 0.62
GMNN O75496 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 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
SCHEMBL8320799 0.86 SRC (0.81) SRCEGFRABL1ABL2RIPK2
SCHEMBL132510 0.86 SRC (1.00) SRCEGFRABL1ABL2RIPK2
SCHEMBL23847603 0.85 LCK (0.76) SRCEGFRABL1ABL2LCK
SCHEMBL30893895 0.85 LCK (0.76) SRCEGFRABL1ABL2LCK
SCHEMBL5936173 0.85 SRC (0.97) SRCEGFRABL1ABL2RIPK2
SCHEMBL13020153 0.83 SRC (0.58) SRCEGFRABL1ABL2RIPK2
SCHEMBL20351637 0.83 SRC (0.65) SRCEGFRABL1ABL2RIPK2
SCHEMBL7020883 0.82 EGFR (0.67) SRCEGFRABL1ABL2RIPK2
SCHEMBL24651203 0.82 ABL1 (0.49) SRCEGFRABL1ABL2RIPK2
SCHEMBL7023713 0.81 SRC (0.72) SRCEGFRABL1ABL2RIPK2

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-A1 NOVEL N-7-HETEROCYCLYL PYRROLO 2,3-D]PYRIDINES AND THEIR USE Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997034895-A1 NOVEL N-7-HETEROCYCLYL PYRROLO[2,3-D]PYRIDINES AND THEIR USE NOVARTIS AG (CH) 1997-09-25 WO disclosed