SCHEMBL9756960

SCHEMBL9756960

N#Cc1c(-c2ncccn2)ccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.36
KCNMA1 Q12791 4/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
EGLN2 Q96KS0 3/20 0.33
BCAT1 P54687 1/20 0.33
SQOR Q9Y6N5 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
GRM4 Q14833 1/20 0.32
CYP11B2 P19099 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27988588 0.86 CLK4 (0.36) CLK4KCNMA1LRRK2EGLN2SQOR
SCHEMBL3665571 0.77 CTSL (0.39) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL2569037 0.74 ALDH1A1 (0.44) SQORALDH1A1KDM4ESMN1; SMN2ADORA2A
SCHEMBL29424943 0.74 MEN1 (0.39) CLK4EGLN2ALDH1A1KDM4EGAA
SCHEMBL17498875 0.71 EGLN2 (0.54) CLK4EGLN2CYP11B2
SCHEMBL3048746 0.71 SQOR (0.44) SQORALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL30150883 0.71 SQOR (0.44) SQORALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL19072702 0.71 GABRG2 (0.39) KCNMA1SQORALDH1A1KDM4EGAA
SCHEMBL186689 0.71 TRPV4 (0.42) BCAT1ALDH1A1KDM4EGAAADORA2A
SCHEMBL21596836 0.69 LRRK2 (0.43) CLK4LRRK2EGLN2BCAT1ADORA2A

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
US-5030382-A Liquid crystals SEIKO EPSON CORPORATION (JP) 1991-07-09 US disclosed