SCHEMBL30448076

SCHEMBL30448076

COc1cc2c3c(C4CCCC4)nccc3n(C(=O)OC(C)(C)C)c2cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.37
TLR9 Q9NR96 1/20 0.37
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK7 Q13164 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CFTR P13569 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
SCHEMBL20581180 1.00 PDE4B (0.37) PDE4BTLR9PDE4APDE4CPDE4D
SCHEMBL20581215 0.96 TLR9 (0.40) PDE4BTLR9PDE4APDE4CPDE4D
SCHEMBL20581236 0.92 TLR9 (0.35) PDE4BTLR9CCNT1CDK9JAK2
SCHEMBL20581099 0.84 TLR9 (0.39) TLR9CCNT1CDK9JAK2JAK1
SCHEMBL28371735 0.83 QDPR (0.34) PDE4BPDE4DCCNT1CDK9MAPK7
SCHEMBL20580702 0.83 TLR9 (0.39) TLR9CCNT1CDK9GPR119GABRG2
SCHEMBL20580937 0.83 TLR9 (0.45) PDE4BTLR9PDE4APDE4CPDE4D
SCHEMBL20581226 0.82 TLR9 (0.38) TLR9GPR119GABRG2GABRB3GABRA5
SCHEMBL20580548 0.82 TLR9 (0.45) TLR9CCNT1CDK9GPR119GABRG2
SCHEMBL20581043 0.82 EHMT2 (0.36) PDE4BTLR9PDE4APDE4CPDE4D

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-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 EP disclosed