SCHEMBL8930265

SCHEMBL8930265

Nc1ncnc2c1c(-c1ccccc1)cn2C1CCCC(=O)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.75
EGFR P00533 12/20 0.75
ABL1 P00519 9/20 0.75
ABL2 P42684 9/20 0.75
RIPK2 O43353 1/20 0.65
LCK P06239 4/20 0.62
KDR P35968 4/20 0.62
TEK Q02763 3/20 0.62
LYN P07948 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
CYP1A2 P05177 1/20 0.62
FYN P06241 1/20 0.62
CYP3A4 P08684 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
SCHEMBL8930246 0.93 SRC (0.74) SRCEGFRABL1ABL2RIPK2
SCHEMBL132510 0.86 SRC (1.00) SRCEGFRABL1ABL2RIPK2
SCHEMBL5936173 0.85 SRC (0.97) SRCEGFRABL1ABL2RIPK2
SCHEMBL6460652 0.85 LCK (0.74) SRCEGFRABL1LCKKDR
SCHEMBL24458572 0.80 LCK (0.77) SRCEGFRABL1LCKKDR
SCHEMBL8320765 0.78 SRC (0.75) SRCEGFRABL1ABL2RIPK2
Hydrochloric Acid SCHEMBL7023167 0.78 SRC (0.85) SRCEGFRABL1ABL2RIPK2
SCHEMBL6467053 0.78 LCK (0.81) SRCEGFRABL1LCKKDR
SCHEMBL6870684 0.77 SRC (0.77) SRCEGFRABL1ABL2RIPK2
Hydrochloric Acid SCHEMBL7098308 0.77 SRC (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028161-A1 NOVEL PYRROLO[2,3-D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 1997-08-07 WO disclosed