SCHEMBL22357553

SCHEMBL22357553

COc1ccn2nc(C(F)(F)F)nc2c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
GRM8 O00222 1/20 0.33
TACR1 P25103 1/20 0.33
GRM7 Q14831 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE10A Q9Y233 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE3A Q14432 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
SCHEMBL20088855 0.84 JAK2 (0.35) JAK2JAK3TLR9TLR8TLR7
SCHEMBL22357554 0.78 KDM4E (0.36) LMNAKDM4EPOLBHPGDNPSR1
SCHEMBL20085798 0.72 KDM4E (0.34) TLR9TLR8TLR7LMNAKDM4E
SCHEMBL20085811 0.72 KDM4E (0.36) TLR9TLR8TLR7LMNAKDM4E
SCHEMBL20085799 0.72 KDM4E (0.33) TLR9TLR8TLR7LMNAKDM4E
SCHEMBL19761021 0.72 TLR9 (0.41) TLR9TLR8TLR7MAPTLMNA
SCHEMBL22357555 0.70 PDE4B (0.39) MAPTKDM4EHPGDPDE4BPDE3A
SCHEMBL20088995 0.67 KDM4E (0.35) JAK2LMNATP53KDM4EPOLB
SCHEMBL20085816 0.67 LMNA (0.35) MAPTLMNACYP1A2CYP2C9KDM4E
SCHEMBL29556962 0.66 DHODH (0.40) LMNAKDM4EGAA

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-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed