SCHEMBL28660386

SCHEMBL28660386

O=C(O)c1cc(F)cc(-n2cnc(C3CC3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
MAP3K5 Q99683 9/20 0.38
HCAR1 Q9BXC0 1/20 0.37
P2RY14 Q15391 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
ABL1 P00519 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
RIPK2 O43353 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL28658710 0.88 MAP4K4 (0.39) MAP3K5ABL1RIPK2
SCHEMBL28643386 0.88 MAP3K5 (0.38) MAP3K5ABL1RIPK2
SCHEMBL28657017 0.85 MAP3K5 (0.40) MAP3K5ABL1RIPK2
SCHEMBL28928037 0.84 MAP3K5 (0.42) MAP3K5HCAR1P2RY14ABL1RIPK2
SCHEMBL27959304 0.80 MAP3K5 (0.52) MAP3K5DDB1CRBN
SCHEMBL27913610 0.76 HCAR1 (0.39) TTRHCAR1P2RY14HCAR2
SCHEMBL233897 0.75 MAP3K5 (0.44) TTRMAP3K5
SCHEMBL20672223 0.75 MAP3K5 (0.42) MAP3K5RIPK2
SCHEMBL30029659 0.75 MAP3K5 (0.42) MAP3K5RIPK2
SCHEMBL27959287 0.75 KMO (0.49) MAP3K5KDM4C

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-109400625-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2021-11-12 CN disclosed