SCHEMBL17815976

SCHEMBL17815976

CC(I)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
LPL P06858 7/20 0.34
LIPG Q9Y5X9 7/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
ESR2 Q92731 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL875957 0.87 FFAR1 (0.51) FFAR1LPLLIPGIRAK4ESR2
SCHEMBL19713715 0.85 FFAR1 (0.50) FFAR1LPLLIPGIRAK4ESR2
SCHEMBL17815970 0.85 FFAR1 (0.50) FFAR1LPLLIPGIRAK4ESR2
SCHEMBL17005480 0.84 FFAR1 (0.52) FFAR1LPLLIPGIRAK4ESR2
SCHEMBL30291377 0.83 FFAR1 (0.51) FFAR1LPLLIPGIRAK4
SCHEMBL1989062 0.82 FFAR1 (0.50) FFAR1LPLLIPGIRAK4ESR2
SCHEMBL17815962 0.81 FFAR1 (0.50) FFAR1LPLLIPGIRAK4
SCHEMBL17815961 0.81 FFAR1 (0.50) FFAR1LPLLIPGIRAK4
SCHEMBL17815960 0.81 FFAR1 (0.50) FFAR1LPLLIPGIRAK4
SCHEMBL22527457 0.80 FFAR1 (0.52) FFAR1LPLLIPGIRAK4

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
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed