SCHEMBL16628263

SCHEMBL16628263

NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
RPS6KB1 P23443 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
CHRM1 P11229 9/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM2 Q14416 1/20 0.46
CNR2 P34972 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
SCHEMBL22001753 0.96 POLB (0.53) POLBRPS6KB1ALDH1A1HTTSMN1; SMN2
SCHEMBL16593276 0.90 POLB (0.56) POLBALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL21043066 0.89 POLB (0.69) POLBALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL16628259 0.88 ADRA1D (0.50) HTTMAPTCHRM1CNR2
SCHEMBL16628328 0.86 RPS6KB1 (0.54) POLBRPS6KB1ALDH1A1HTTSMN1; SMN2
SCHEMBL22001174 0.85 CHRM1 (0.56) POLBALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL16593303 0.84 POLB (0.51) POLBALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL16628324 0.84 CHRM1 (0.68) CHRM1
SCHEMBL16628329 0.83 CHRM1 (0.44) POLBRPS6KB1CHRM1GRM2
SCHEMBL16628334 0.83 NPC1 (0.44) POLBRPS6KB1CHRM1GRM2

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-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 EP disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 WO disclosed