SCHEMBL23635317

SCHEMBL23635317

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ RPS6KB1 P23443 7/20 0.34
▸ AKT1 P31749 7/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AKT3 Q9Y243 1/20 0.34

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
SCHEMBL23630439 0.92 GRM2 (0.38) GRM2KDM4EMEN1ALDH1A1LMNA
SCHEMBL23630458 0.87 MAPT (0.41) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL23635380 0.85 GRM2 (0.44) GRM2KDM4EALDH1A1GAAHPGD
SCHEMBL23635294 0.82 HSD11B1 (0.38) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL20565565 0.80 GRM2 (0.45) GRM2KDM4EMEN1ALDH1A1LMNA
SCHEMBL23630493 0.80 EPHX2 (0.39) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL23635301 0.79 C5AR1 (0.41) GRM2KDM4EMEN1ALDH1A1LMNA
SCHEMBL23635295 0.78 SMN1; SMN2 (0.39) GRM2MEN1ALDH1A1KMT2A
SCHEMBL23630491 0.78 NPC1 (0.38) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL23635338 0.77 GPR119 (0.34) KDM4EMEN1ALDH1A1LMNAGAA

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
Send feedback