SCHEMBL16092555

SCHEMBL16092555

CC(C)c1c(-c2cccc(C(=O)N3CCNCC3)c2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 5/20 0.49
▸ TLR8 Q9NR97 5/20 0.49
▸ TLR7 Q9NYK1 5/20 0.49
▸ CYP11B2 P19099 4/20 0.43
▸ CYP11B1 P15538 3/20 0.41
▸ OTUD7B Q6GQQ9 1/20 0.39
▸ FASN P49327 3/20 0.38
▸ PLAT P00750 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ MAP3K11 Q16584 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37

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
SCHEMBL17547869 0.92 TLR8 (0.47) TLR9TLR8TLR7CYP11B2CYP11B1
SCHEMBL16092552 0.85 BRD4 (0.37) CYP11B2
SCHEMBL16092493 0.82 KDM5B (0.48) PLAT
SCHEMBL16092522 0.82 MEN1 (0.40) TLR9TLR8TLR7CYP11B2CYP11B1
SCHEMBL16092280 0.81 TTK (0.41) CSNK2A1
SCHEMBL16092448 0.81 KDM5B (0.46) FASNPLAT
SCHEMBL16092243 0.80 KDM5A (0.43) —
SCHEMBL16092293 0.80 KDM5A (0.39) CYP11B2CYP11B1FASNPLAT
SCHEMBL16092534 0.80 EGLN1 (0.43) —
SCHEMBL16092255 0.80 KDM5B (0.42) PLAT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO disclosed
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