SCHEMBL29707245

SCHEMBL29707245

Cc1nn2cc(B3OC(C)(C)C(C)(C)O3)cnc2c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DGAT1 O75907 2/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL29707248 0.77 FFAR1 (0.43) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL18247818 0.72 FFAR1 (0.40) FFAR1LPLLIPGNPC1RAB9A
SCHEMBL18555496 0.71 NPC1 (0.46) FFAR1LPLLIPGNPC1RAB9A
SCHEMBL25252040 0.69 LPL (0.36) FFAR1LPLLIPGIRAK4
SCHEMBL30895241 0.69 GSK3B (0.37) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL23881423 0.69 CDK2 (0.42) FFAR1DGAT1
SCHEMBL2427096 0.68 LPL (0.42) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL20137083 0.68 LPL (0.48) FFAR1LPLLIPGDGAT1
SCHEMBL16112090 0.68 FFAR1 (0.44) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL31221572 0.68 FFAR1 (0.44) FFAR1LPLLIPGDGAT1IRAK4

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-112574211-B Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2022-06-14 CN disclosed