SCHEMBL23630439

SCHEMBL23630439

N#Cc1c(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)nn2c(=O)c(C(F)(F)F)c[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 8/20 0.38
▸ AOC3 Q16853 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR2C P28335 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33

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
SCHEMBL23635317 0.92 GRM2 (0.43) GRM2AOC3KDM4EALDH1A1GAA
SCHEMBL23630491 0.86 NPC1 (0.38) AOC3KDM4EALDH1A1HPGDMEN1
SCHEMBL23630397 0.85 AOC3 (0.38) GRM2AOC3KDM4EALDH1A1GAA
SCHEMBL23630493 0.81 EPHX2 (0.39) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL23635295 0.80 SMN1; SMN2 (0.39) GRM2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL23630586 0.80 TIPARP (0.36) AOC3KDM4EALDH1A1GAAHPGD
SCHEMBL23630458 0.78 MAPT (0.41) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL23635303 0.78 GRM2 (0.39) GRM2KDM4EALDH1A1GAAHPGD
SCHEMBL23635302 0.77 LCAT (0.38) GRM2KDM4EALDH1A1GAAHPGD
SCHEMBL23635380 0.76 GRM2 (0.44) GRM2AOC3KDM4EALDH1A1GAA

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-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
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