SCHEMBL16623573

SCHEMBL16623573

N=C(c1ccc(N2CCOCC2)cc1)c1c(NC2CCCCC2(F)F)cc[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.34
GHSR Q92847 1/20 0.34
ROCK1 Q13464 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
GSK3B P49841 1/20 0.33
USP30 Q70CQ3 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ZAP70 P43403 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
SCHEMBL16623495 0.86 GHSR (0.36) MAPTGHSRL3MBTL1KDM4EZAP70
SCHEMBL16623576 0.84 HPGDS (0.35) GHSRROCK1GSK3BUSP30KDM4E
SCHEMBL17849223 0.75 MAPT (0.41) MAPTALDH1A1ROCK1HPGDLMNA
SCHEMBL17849188 0.74 EGFR (0.40) MAPTALDH1A1ROCK1L3MBTL1ZAP70
SCHEMBL17849247 0.73 MAPT (0.41) MAPTALDH1A1GAAMAPK1TDP1
SCHEMBL17849227 0.70 TYK2 (0.42) ZAP70EGFRJAK3MAPK14
SCHEMBL17849222 0.70 ALDH1A1 (0.36) MAPTALDH1A1GAALMNATDP1
SCHEMBL16726651 0.69 NPC1 (0.41) ALDH1A1GAAGSK3BKDM4E
SCHEMBL16623512 0.69 JAK1 (0.43) JAK3
SCHEMBL17849244 0.68 TYK2 (0.40) ALDH1A1HPGDKDM4EHSD17B10ZAP70

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
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed