SCHEMBL19953244

SCHEMBL19953244

NCc1cc2c(cn1)ncn2-c1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.46
FGFR1 P11362 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ORAI1 Q96D31 1/20 0.44
F9 P00740 3/20 0.44
F10 P00742 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 2/20 0.43
LOX P28300 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 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
SCHEMBL19964840 0.84 KDM4E (0.48) FGFR1KDM4EALDH1A1ORAI1F9
SCHEMBL17531414 0.83 FGFR1 (0.58) FGFR1KDM4EALDH1A1ORAI1F9
SCHEMBL19964835 0.82 ORAI1 (0.46) FGFR1KDM4EALDH1A1ORAI1F9
SCHEMBL17531409 0.78 FGFR1 (0.57) FGFR1ALDH1A1ORAI1NPC1RAB9A
SCHEMBL16147899 0.77 MEN1 (0.58) FGFR1ORAI1F9F10NPC1
SCHEMBL16158476 0.76 FGFR1 (0.61) FGFR1ORAI1F9F10NPC1
SCHEMBL23680588 0.74 HPGD (0.62) FGFR1ALDH1A1
SCHEMBL16158509 0.73 FGFR1 (0.57) FGFR1NPC1RAB9AKDRAURKA
SCHEMBL19964494 0.73 FLT3 (0.46) LOXL2ALDH1A1
SCHEMBL16147819 0.72 FGFR1 (0.70) FGFR1ALDH1A1ORAI1F9F10

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