SCHEMBL29699016

SCHEMBL29699016

FC(F)(F)c1cnc(Cl)nc1-c1cc[nH]c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.35
JUN P05412 7/20 0.35
NFKB2 Q00653 7/20 0.35
RELA Q04206 7/20 0.35
RORC P51449 7/20 0.33
PPARG P37231 6/20 0.33
RPS6KA5 O75582 1/20 0.31
PIK3CD O00329 1/20 0.31
ULK1 O75385 1/20 0.30
ATF1 P18846 1/20 0.30
NOTUM Q6P988 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
SCHEMBL30927637 0.83 ULK1 (0.41) ULK1
SCHEMBL29174702 0.79 RPS6KA5 (0.43) RPS6KA5
SCHEMBL27503715 0.76 NPC1 (0.41) NFKB1JUNNFKB2RELAATF1
SCHEMBL29699125 0.76 SDHB (0.34)
SCHEMBL28313446 0.73 PDE3B (0.42) PIK3CDULK1
SCHEMBL27229135 0.72 LRRK2 (0.47)
SCHEMBL30837013 0.72 LRRK2 (0.47)
SCHEMBL30662104 0.71 JUN (0.33) NFKB1JUNNFKB2RELARPS6KA5
SCHEMBL21409989 0.71 JUN (0.33) NFKB1JUNNFKB2RELARPS6KA5
SCHEMBL30578587 0.71 AR (0.43) NFKB1JUNNFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745277-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-09-12 CN disclosed
CN-116670123-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-08-29 CN disclosed
WO-2022134641-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed
WO-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed