SCHEMBL22980966

SCHEMBL22980966

N#Cc1c(CC(F)(F)F)cc(Cl)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
NSD2 O96028 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM1A O60341 2/20 0.31
GRM2 Q14416 2/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27348192 0.82 KHK (0.36) KHKL3MBTL1ALDH1A1GLAHTT
SCHEMBL11723001 0.79 HTT (0.42) L3MBTL1ALDH1A1GLAHTTMAPK1
SCHEMBL6627580 0.76 ALDH1A1 (0.40) L3MBTL1ALDH1A1GLAHTTMAPK1
SCHEMBL4068543 0.76 L3MBTL1 (0.33) KHKL3MBTL1ALDH1A1GLAHTT
SCHEMBL4193505 0.76 HTT (0.38) KHKL3MBTL1ALDH1A1GLAHTT
SCHEMBL29409508 0.75 KDM4E (0.40) L3MBTL1ALDH1A1GLAHTTMAPK1
SCHEMBL1624009 0.75 KDM4E (0.40) L3MBTL1ALDH1A1GLAHTTMAPK1
SCHEMBL9987538 0.75 L3MBTL1 (0.33) KHKL3MBTL1ALDH1A1GLAHTT
SCHEMBL1624060 0.75 L3MBTL1 (0.33) KHKL3MBTL1ALDH1A1GLAHTT
SCHEMBL4193500 0.72 L3MBTL1 (0.36) KHKL3MBTL1ALDH1A1GLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010080-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2022-06-15 EP disclosed
WO-2021028643-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2021-02-18 WO disclosed