SCHEMBL19964757

SCHEMBL19964757

COc1ccc(-c2ccc3[nH]c(CN)cc3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 1.00
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
PIP5K1C O60331 1/20 0.45
PIK3CB P42338 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MAP3K11 Q16584 1/20 0.43
ERN1 O75460 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
FGFR3 P22607 1/20 0.39

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
SCHEMBL19953285 0.83 LOXL2 (0.73) LOXL2
SCHEMBL19964313 0.82 LOXL2 (1.00) LOXL2
Hydrochloric Acid SCHEMBL19953384 0.81 LOXL2 (0.98) LOXL2
SCHEMBL7273777 0.76 LOXL2 (0.61) LOXL2PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL19953219 0.75 LOXL2 (0.60) LOXL2PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL489435 0.74 HRH3 (0.67) LOXL2
SCHEMBL489436 0.74 HRH3 (0.67) LOXL2
Hydrochloric Acid SCHEMBL20267088 0.74 LOXL2 (0.58) LOXL2
SCHEMBL19953274 0.74 LOXL2 (0.65) LOXL2CYP2A6
SCHEMBL19953216 0.73 LOXL2 (1.00) LOXL2

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