SCHEMBL9729664

SCHEMBL9729664

Cc1cccc(-c2ccnc3c(C(=O)N(CN(C)C)CN(C)C)cnn23)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.68
KDM4E B2RXH2 1/20 0.48
MAP2K1 Q02750 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
BRAF P15056 8/20 0.47
GSK3A P49840 3/20 0.46
PIM1 P11309 3/20 0.46
CDK1 P06493 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
PLK1 P53350 1/20 0.46
AURKB Q96GD4 1/20 0.46
EPHA2 P29317 1/20 0.46
AKT1 P31749 1/20 0.46
PIM3 Q86V86 1/20 0.46
MAPK13 O15264 2/20 0.44
LIMK1 P53667 1/20 0.44
MARK2 Q7KZI7 1/20 0.44

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
SCHEMBL3176935 0.83 TLR8 (0.82) TLR8KDM4EMAP2K1CLK4DYRK1B
SCHEMBL3155668 0.82 TLR8 (0.72) TLR8KDM4EMAP2K1CLK4DYRK1B
SCHEMBL8331920 0.81 TLR8 (1.00) TLR8KDM4EMAP2K1CLK4DYRK1B
SCHEMBL9877202 0.78 TLR8 (0.67) TLR8KDM4EMAP2K1CLK4DYRK1B
SCHEMBL9728825 0.78 TLR8 (0.67) TLR8KDM4EMAP2K1CLK4DYRK1B
SCHEMBL4655828 0.72 BRAF (0.63) TLR8KDM4EMAP2K1CLK4DYRK1B
SCHEMBL10736560 0.71 TLR8 (0.49) TLR8KDM4EMAP2K1CLK4DYRK1B
SCHEMBL4656020 0.71 BRAF (0.80) TLR8BRAFGSK3APIM1EPHA2
SCHEMBL11463600 0.70 BRAF (0.79) KDM4EBRAF
SCHEMBL11472378 0.70 MAP2K1 (0.65) KDM4EMAP2K1CLK4DYRK1BBRAF

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-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed