SCHEMBL26865131

SCHEMBL26865131

COc1nc(F)cc2c(Nc3ccccc3)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ ALK Q9UM73 5/20 0.42
▸ GAK O14976 5/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ COQ8A Q8NI60 1/20 0.41
▸ NLK Q9UBE8 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38

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
SCHEMBL26656452 0.83 CA1 (0.44) KDREGFR
SCHEMBL26863392 0.81 CCNA2 (0.39) ALKERBB2
SCHEMBL26862940 0.81 HTT (0.49) HTTALKGAKRIPK2COQ8A
SCHEMBL26863552 0.76 GAK (0.35) HTTGAKRIPK2EGFRGAA
SCHEMBL26869039 0.76 HTT (0.39) HTTGAKRIPK2COQ8ANLK
SCHEMBL26656471 0.74 CNR1 (0.43) HTTKMT2ATDP1
SCHEMBL26656472 0.74 CNR1 (0.43) HTTKMT2ATDP1
SCHEMBL30666114 0.74 HSP90AA1 (0.38) HTTKDRMAPTKMT2ATDP1
SCHEMBL26656462 0.74 HSP90AA1 (0.38) HTTKDRMAPTKMT2ATDP1
SCHEMBL25465044 0.70 GAK (0.60) HTTALKGAKRIPK2COQ8A

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-2023225001-A1 NAPHTHYRIDINE BASED ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-11-23 — — WO disclosed
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