SCHEMBL29707248

SCHEMBL29707248

CC1(C)OB(c2cnc3c(F)cnn3c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
LPL P06858 3/20 0.37
LIPG Q9Y5X9 3/20 0.37
DGAT1 O75907 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
EGFR P00533 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
SCHEMBL23881423 0.79 CDK2 (0.42) FFAR1DGAT1
SCHEMBL29707245 0.77 FFAR1 (0.38) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL16112090 0.73 FFAR1 (0.44) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL31221572 0.73 FFAR1 (0.44) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL25421584 0.72 CYP11B2 (0.40) FFAR1DGAT1KDR
SCHEMBL30318153 0.71 FFAR1 (0.36) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL20137083 0.70 LPL (0.48) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL31387118 0.70 IRAK4 (0.43) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL18247818 0.69 FFAR1 (0.40) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL30895241 0.69 GSK3B (0.37) 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