SCHEMBL19984640

SCHEMBL19984640

Cc1c(C(=O)NCc2cnc(-c3ccc(C#N)cc3F)s2)ccc2c1NC(=O)c1ccncc1S2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.35
PDPK1 O15530 1/20 0.35
EGLN1 Q9GZT9 5/20 0.34
ROCK2 O75116 4/20 0.32
BACE1 P56817 2/20 0.32
KLKB1 P03952 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL21291392 0.88 SLC22A12 (0.36) SLC22A12PDPK1EGLN1ROCK2BACE1
SCHEMBL19984758 0.85 EGLN1 (0.41) EGLN1ROCK2
SCHEMBL18667022 0.81 EGLN1 (0.38) PDPK1EGLN1BACE1KLKB1THRB
SCHEMBL19984576 0.78 ROCK2 (0.38) ROCK2
SCHEMBL18667510 0.77 EGLN1 (0.40) PDPK1EGLN1BACE1THRB
SCHEMBL18667774 0.76 TP53 (0.48) EGLN1THRB
SCHEMBL21291308 0.76 EGLN1 (0.40) SLC22A12PDPK1EGLN1ROCK2KLKB1
SCHEMBL21291409 0.76 EGLN1 (0.42) EGLN1ROCK2KLKB1
SCHEMBL21250425 0.74 EGLN1 (0.38) PDPK1EGLN1BACE1THRB
SCHEMBL18667518 0.73 ALDH1A1 (0.36) PDPK1EGLN1

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
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed