SCHEMBL29992811

SCHEMBL29992811

CCCn1cc(-n2cc(-c3ccc(OC4CCCC4)nc3C)cn2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 3/20 0.42
▸ RIPK2 O43353 4/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.34
▸ AXL P30530 5/20 0.33
▸ MERTK Q12866 5/20 0.33
▸ TYRO3 Q06418 4/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ACVR2A P27037 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL19951563 1.00 MELK (0.42) MELKRIPK2HRH3AXLMERTK
SCHEMBL19962885 0.98 MELK (0.40) MELKRIPK2HRH3AXLMERTK
SCHEMBL19962888 0.96 MELK (0.37) MELKRIPK2HRH3AXLMERTK
SCHEMBL19951559 0.88 MELK (0.39) MELKRIPK2HRH3AXLMERTK
SCHEMBL29993167 0.88 MELK (0.39) MELKRIPK2HRH3AXLMERTK
SCHEMBL19962891 0.86 MELK (0.40) MELKRIPK2PIK3CDADORA2AADORA2B
SCHEMBL19962921 0.85 RIPK2 (0.34) MELKRIPK2PIK3CDADORA2AADORA2B
SCHEMBL19962887 0.85 RIPK2 (0.34) MELKRIPK2PIK3CDADORA2AADORA2B
SCHEMBL19962945 0.83 NR3C1 (0.35) MELKRIPK2ADORA2AADORA2BADORA1
SCHEMBL19962922 0.83 NR3C1 (0.34) MELKADORA2AADORA2BADORA1ADORA3

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
CN-110072861-B Disubstituted pyrazoles for the treatment of diseases FGH生物科技公司 2022-11-11 — — CN disclosed
Send feedback