SCHEMBL23601920

SCHEMBL23601920

Nc1ncc(-c2cccc(I)c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.66
METAP2 P50579 1/20 0.44
APP P05067 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
DHFR P00374 3/20 0.38
KIT P10721 1/20 0.37
EGFR P00533 1/20 0.37
PDE4A P27815 1/20 0.36

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
SCHEMBL2643156 0.79 MAP4K4 (1.00) MAP4K4METAP2KIT
SCHEMBL20150481 0.78 MAP4K4 (0.68) MAP4K4ALOX5APFEN1MAPTDHFR
SCHEMBL6561405 0.78 METAP2 (0.50) METAP2APPCHRNB4CHRNA3PDE4A
SCHEMBL17667718 0.76 MAP4K4 (0.66) MAP4K4ALOX5APFEN1LMNAMAPT
SCHEMBL17667716 0.76 MAP4K4 (0.66) MAP4K4ALOX5APFEN1LMNAMAPT
SCHEMBL24341918 0.76 MAP4K4 (0.66) MAP4K4ALOX5APFEN1LMNAMAPT
SCHEMBL13040 0.76 MAP4K4 (0.66) MAP4K4METAP2
SCHEMBL5322145 0.76 MAP4K4 (0.66) MAP4K4DHFR
SCHEMBL23601919 0.76 EGLN2 (0.42) MAP4K4METAP2APPCHRNB4CHRNA3
SCHEMBL17547086 0.75 ATM (0.54) MAP4K4METAP2APPCHRNB4CHRNA3

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed