SCHEMBL20008219

SCHEMBL20008219

Cc1ncc(N)cc1-c1ccc(CC2CCCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
FEN1 P39748 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
HTR6 P50406 3/20 0.35
LNPEP Q9UIQ6 1/20 0.35
RAF1 P04049 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HSP90AA1 P07900 2/20 0.33
SYK P43405 1/20 0.33
BRS3 P32247 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL28819054 0.78 NFE2L2 (0.44) FEN1LNPEPRAB9A
SCHEMBL20979570 0.74 ABL1 (0.35) ABL1FEN1RAF1
Formic Acid SCHEMBL28013976 0.73 NFE2L2 (0.38) FEN1HTR6LNPEP
SCHEMBL20009436 0.73 MAPK14 (0.41) ABL1RAF1
SCHEMBL21312554 0.73 NFE2L2 (0.38) FEN1LNPEPMAP4K4
SCHEMBL21240974 0.72 MAP4K4 (0.42) HTR6MEN1RAB9AKMT2ANPSR1
SCHEMBL27641375 0.71 SYK (0.35) SYKKCNJ6KCNJ3
SCHEMBL14107706 0.66 FEN1 (0.45) ABL1FEN1IRAK4RAF1MAP4K4
SCHEMBL507751 0.66 CXCR4 (0.40) FEN1
SCHEMBL10229782 0.66 CYP1A2 (0.51) RAB9A

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed