SCHEMBL16628332

SCHEMBL16628332

NC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ PRNP P04156 1/20 0.41
▸ SERPINE1 P05121 1/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ SOS1 Q07889 1/20 0.39

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
SCHEMBL16628323 0.83 KLKB1 (0.47) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL16628263 0.81 POLB (0.56) POLBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL22001753 0.78 POLB (0.53) POLBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL21043473 0.77 ALDH1A1 (0.56) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL22001752 0.76 CHRM1 (0.59) —
SCHEMBL19997556 0.75 RPS6KB1 (0.42) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL16628259 0.72 ADRA1D (0.50) MAPTHTTCNR2ADRA1D
SCHEMBL16628330 0.72 CHRM1 (0.43) POLBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL16593276 0.71 POLB (0.56) POLBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL21042584 0.71 POLB (0.42) POLBMAPTALDH1A1HTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 — — WO disclosed
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