SCHEMBL28449806

SCHEMBL28449806

CC(C)(C)OC(=O)Nc1cnc(Cl)c(F)c1N=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.39
▸ ATR Q13535 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL30433088 0.82 MAPKAPK2 (0.41) ATRMAPKAPK2LMNAS1PR3P2RX3
SCHEMBL29187575 0.82 MAPKAPK2 (0.41) ATRMAPKAPK2LMNAS1PR3P2RX3
SCHEMBL21789258 0.75 ATR (0.41) ATRMAPKAPK2LMNAS1PR3P2RX3
SCHEMBL26697706 0.75 ATR (0.41) ATRMAPKAPK2S1PR3P2RX3AAK1
SCHEMBL19960768 0.75 ATR (0.43) ATRMAPKAPK2KMT2AP2RX3AAK1
SCHEMBL23291067 0.74 ATR (0.42) ATRMAPKAPK2P2RX3AAK1RXFP1
SCHEMBL2019695 0.74 ATR (0.42) ATRMAPKAPK2S1PR3P2RX3AAK1
SCHEMBL30038835 0.74 ATR (0.42) ATRMAPKAPK2S1PR3P2RX3AAK1
SCHEMBL29936130 0.72 ATR (0.41) ATRMAPKAPK2S1PR3P2RX3AAK1
SCHEMBL26894606 0.72 ATR (0.41) ATRMAPKAPK2S1PR3P2RX3AAK1

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
CN-111601799-A Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2020-08-28 — — CN disclosed
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