SCHEMBL19953329

SCHEMBL19953329

Cn1cc(-c2ccc3[nH]c(CN)cc3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 1.00
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48
CHEK1 O14757 2/20 0.47
LRRK2 Q5S007 1/20 0.46
PIKFYVE Q9Y2I7 2/20 0.45
SYK P43405 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
AXL P30530 1/20 0.42

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
SCHEMBL19211254 0.83 LOXL2 (0.71) LOXL2PRMT5WDR77CHEK1PIKFYVE
Hydrochloric Acid SCHEMBL19211241 0.82 LOXL2 (0.70) LOXL2PRMT5WDR77CHEK1PIKFYVE
SCHEMBL19964816 0.73 LOXL2 (0.57) LOXL2PRMT5WDR77SYK
SCHEMBL29214194 0.73 LRRK2 (0.70) LOXL2CHEK1LRRK2PIM1PIM2
SCHEMBL30914585 0.73 LRRK2 (0.70) LOXL2CHEK1LRRK2PIM1PIM2
SCHEMBL16014174 0.73 GSK3B (0.57) LOXL2LRRK2PIM1AXL
SCHEMBL19953274 0.72 LOXL2 (0.65) LOXL2
SCHEMBL16848369 0.72 LOXL2 (0.56) LOXL2PRMT5WDR77LRRK2PIKFYVE
SCHEMBL19953414 0.72 LOXL2 (0.57) LOXL2
SCHEMBL19964757 0.72 LOXL2 (1.00) LOXL2PIK3CDPIK3CAPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed