SCHEMBL21645602

SCHEMBL21645602

CN(C)c1nc(C#N)nc(Nc2ccc(F)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.63
▸ CTSK P43235 3/20 0.52
▸ CTSL P07711 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSB P07858 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL5255204 0.86 MAPT (0.62) GAACTSKALDH1A1MAPTCA1
SCHEMBL6244636 0.82 MAPT (0.58) GAACTSKALDH1A1MAPTCA1
SCHEMBL21645364 0.78 GAA (0.68) GAAALDH1A1MAPTCA1CA2
SCHEMBL2453813 0.78 GAA (0.73) GAAALDH1A1MAPTCA1CA2
SCHEMBL28229111 0.73 GAA (0.61) GAAALDH1A1MAPTCA1CA2
SCHEMBL21645615 0.72 GAA (0.60) GAAALDH1A1MAPTCA1CA2
SCHEMBL23558026 0.68 KCNH3 (0.53) GAACTSKCTSLCTSSCTSB
SCHEMBL10598128 0.68 GAA (0.64) GAAALDH1A1MAPTCA1CA2
SCHEMBL14869860 0.68 ALDH1A1 (0.68) GAAALDH1A1MAPTCA1CA2
SCHEMBL14388023 0.68 ALDH1A1 (0.68) GAAALDH1A1MAPTCA1CA2

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-2019241787-A9 NOVEL CYCLIC GMP-AMP SYNTHASE (CGAS) INHIBITORS AND THEIR METHOD OF USE THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-02-06 — — WO disclosed
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