SCHEMBL23635380

SCHEMBL23635380

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 8/20 0.44
▸ SLC9A1 P19634 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RET P07949 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ AOC3 Q16853 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL23635382 0.86 GRM2 (0.38) GRM2SLC9A1KDM4EL3MBTL1MAPT
SCHEMBL23635318 0.86 RET (0.37) SLC9A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL23635317 0.85 GRM2 (0.43) GRM2KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL23635381 0.83 SLC9A1 (0.38) GRM2SLC9A1KDM4EL3MBTL1MAPT
SCHEMBL20565565 0.82 GRM2 (0.45) GRM2KDM4EMAPTHPGDNPSR1
SCHEMBL23630347 0.80 RXFP1 (0.38) KDM4EL3MBTL1MAPTHPGDNPSR1
SCHEMBL23630438 0.79 KDM4E (0.37) KDM4EL3MBTL1MAPTHPGDNPSR1
SCHEMBL23635343 0.79 KDM4E (0.34) KDM4EL3MBTL1MAPTHPGDNPSR1
SCHEMBL23630439 0.76 GRM2 (0.38) GRM2KDM4EL3MBTL1MAPTHPGD
SCHEMBL23635332 0.72 L3MBTL1 (0.35) KDM4EL3MBTL1MAPTHPGDNPSR1

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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