SCHEMBL23315007

SCHEMBL23315007

CCOc1cc(NCc2cnc(SC)nc2NC)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
DHFR P00374 2/20 0.42
ALDH1A1 P00352 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
FGFR4 P22455 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHKA P35790 1/20 0.33

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
SCHEMBL15412984 0.94 HTT (0.49) HTTDHFRALDH1A1KDM4EFGFR4
SCHEMBL29545589 0.94 HTT (0.49) HTTDHFRALDH1A1KDM4EFGFR4
SCHEMBL6736863 0.86 HTT (0.51) HTTDHFRALDH1A1KDM4EFGFR4
SCHEMBL16071413 0.80 HTT (0.45) HTTDHFRFGFR4
SCHEMBL3970774 0.79 DHFR (0.55) HTTDHFRMAPTLMNATSHR
SCHEMBL20733981 0.75 HTT (0.48) HTTDHFR
SCHEMBL6736865 0.75 DHFR (0.46) HTTDHFRFGFR4
SCHEMBL6623077 0.74 LMNA (0.46) HTTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL28734481 0.74 NPC1 (0.43) HTTALDH1A1MAPTKDM4EMEN1
SCHEMBL29546388 0.74 NPC1 (0.43) HTTALDH1A1MAPTKDM4EMEN1

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
EP-2872491-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2021-05-05 EP disclosed